PubChemLite - 185346-20-7 (C25H23N3O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H](OC(=N1)C2=NC(=CC=C2)C3=N[C@H]([C@@H](O3)C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m0/s1

InChIKey

WAQJMWVRZVOTCH-ZCVTWQBDSA-N

Compound name

(4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	398.18630	196.2
[M+Na]+	420.16824	204.3
[M-H]-	396.17174	209.9
[M+NH4]+	415.21284	203.3
[M+K]+	436.14218	199.6
[M+H-H2O]+	380.17628	184.9
[M+HCOO]-	442.17722	213.6
[M+CH3COO]-	456.19287	206.1
[M+Na-2H]-	418.15369	193.6
[M]+	397.17847	197.2
[M]-	397.17957	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.18630

196.2

[M+Na]+

420.16824

204.3

[M-H]-

396.17174

209.9

[M+NH4]+

415.21284

203.3

[M+K]+

436.14218

199.6

[M+H-H2O]+

380.17628

184.9

[M+HCOO]-

442.17722

213.6

[M+CH3COO]-

456.19287

206.1

[M+Na-2H]-

418.15369

193.6

[M]+

397.17847

197.2

[M]-

397.17957

197.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

185346-20-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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