PubChemLite - 7s06p17s1v (C21H23N5O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4=CC(=CC=C4)O)(C)C

InChI

InChI=1S/C21H23N5O4/c1-13-18(14(2)30-23-13)12-24-11-16(9-22-24)26-19(28)21(3,4)25(20(26)29)10-15-6-5-7-17(27)8-15/h5-9,11,27H,10,12H2,1-4H3

InChIKey

XQKWOHNWLKRKNA-UHFFFAOYSA-N

Compound name

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

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]+	410.18230	194.7
[M+Na]+	432.16424	208.0
[M+NH4]+	427.20884	199.6
[M+K]+	448.13818	207.6
[M-H]-	408.16774	198.4
[M+Na-2H]-	430.14969	200.9
[M]+	409.17447	197.6
[M]-	409.17557	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.18230

194.7

[M+Na]+

432.16424

208.0

[M+NH4]+

427.20884

199.6

[M+K]+

448.13818

207.6

[M-H]-

408.16774

198.4

[M+Na-2H]-

430.14969

200.9

[M]+

409.17447

197.6

[M]-

409.17557

197.6

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

7s06p17s1v

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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