PubChemLite - 76195-70-5 (C32H29N3O3)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

InChI

InChI=1S/C32H29N3O3/c1-36-24-14-8-21(9-15-24)29-20-30(35(34-29)23-12-18-26(38-3)19-13-23)31-27-6-4-5-7-28(27)33-32(31)22-10-16-25(37-2)17-11-22/h4-19,30,33H,20H2,1-3H3

InChIKey

UBGMUYZIDXVQME-UHFFFAOYSA-N

Compound name

3-[2,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-(4-methoxyphenyl)-1H-indole

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]+	504.22818	224.2
[M+Na]+	526.21012	232.1
[M-H]-	502.21362	236.9
[M+NH4]+	521.25472	229.7
[M+K]+	542.18406	223.8
[M+H-H2O]+	486.21816	211.2
[M+HCOO]-	548.21910	241.5
[M+CH3COO]-	562.23475	231.8
[M+Na-2H]-	524.19557	220.5
[M]+	503.22035	227.6
[M]-	503.22145	227.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.22818

224.2

[M+Na]+

526.21012

232.1

[M-H]-

502.21362

236.9

[M+NH4]+

521.25472

229.7

[M+K]+

542.18406

223.8

[M+H-H2O]+

486.21816

211.2

[M+HCOO]-

548.21910

241.5

[M+CH3COO]-

562.23475

231.8

[M+Na-2H]-

524.19557

220.5

[M]+

503.22035

227.6

[M]-

503.22145

227.6

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

76195-70-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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