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

2
Patents

381.19534 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.202616 187.8
[M+Na]+ 404.184558 195.7
[M-H]- 380.188064 193.7
[M+NH4]+ 399.229163 198.0
[M+K]+ 420.158498 186.7
[M+H-H2O]+ 364.192600 176.3
[M+HCOO]- 426.193541 207.0
[M+CH3COO]- 440.209191 196.7
[M+Na-2H]- 402.170006 192.5
[M]+ 381.19479142 189.4
[M]- 381.19588858 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