CID 387361

Nsc681113

Structural Information

Molecular Formula
C24H23N5
SMILES
C1=CC=C(C=C1)CCN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C24H23N5/c1-2-8-18(9-3-1)14-15-29(16-23-25-19-10-4-5-11-20(19)26-23)17-24-27-21-12-6-7-13-22(21)28-24/h1-13H,14-17H2,(H,25,26)(H,27,28)
InChIKey
IQQSGUWPUMPOIQ-UHFFFAOYSA-N
Compound name
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

381.19534 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20262 187.8
[M+Na]+ 404.18456 195.7
[M-H]- 380.18806 193.7
[M+NH4]+ 399.22916 198.0
[M+K]+ 420.15850 186.7
[M+H-H2O]+ 364.19260 176.3
[M+HCOO]- 426.19354 207.0
[M+CH3COO]- 440.20919 196.7
[M+Na-2H]- 402.17001 192.5
[M]+ 381.19479 189.4
[M]- 381.19589 189.4
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

patents stripe