CID 3009980

Phenyl-(1-phenylbenzimidazol-2-yl)methanamine

Structural Information

Molecular Formula
C20H17N3
SMILES
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C4=CC=CC=C4)N
InChI
InChI=1S/C20H17N3/c21-19(15-9-3-1-4-10-15)20-22-17-13-7-8-14-18(17)23(20)16-11-5-2-6-12-16/h1-14,19H,21H2
InChIKey
WFYFFORJYKOGKE-UHFFFAOYSA-N
Compound name
phenyl-(1-phenylbenzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14224 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 169.7
[M+Na]+ 322.13146 178.0
[M-H]- 298.13496 177.7
[M+NH4]+ 317.17606 183.8
[M+K]+ 338.10540 170.9
[M+H-H2O]+ 282.13950 159.5
[M+HCOO]- 344.14044 192.0
[M+CH3COO]- 358.15609 180.9
[M+Na-2H]- 320.11691 175.2
[M]+ 299.14169 168.7
[M]- 299.14279 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.