CID 623893

64019-57-4

Structural Information

Molecular Formula
C24H21N7
SMILES
C1=CC=C2C(=C1)NC(=N2)CN(CC3=NC4=CC=CC=C4N3)CC5=NC6=CC=CC=C6N5
InChI
InChI=1S/C24H21N7/c1-2-8-17-16(7-1)25-22(26-17)13-31(14-23-27-18-9-3-4-10-19(18)28-23)15-24-29-20-11-5-6-12-21(20)30-24/h1-12H,13-15H2,(H,25,26)(H,27,28)(H,29,30)
InChIKey
YQIGEJHOYBUSLR-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

307
Patents

407.18585 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19313 192.8
[M+Na]+ 430.17507 209.1
[M+NH4]+ 425.21967 199.6
[M+K]+ 446.14901 206.3
[M-H]- 406.17857 197.4
[M+Na-2H]- 428.16052 201.8
[M]+ 407.18530 196.5
[M]- 407.18640 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe