CID 353652

83144-89-2

Structural Information

Molecular Formula
C35H34N10O
SMILES
C1=CC=C2C(=C1)NC(=N2)CN(CC3=NC4=CC=CC=C4N3)CC(CN(CC5=NC6=CC=CC=C6N5)CC7=NC8=CC=CC=C8N7)O
InChI
InChI=1S/C35H34N10O/c46-23(17-44(19-32-36-24-9-1-2-10-25(24)37-32)20-33-38-26-11-3-4-12-27(26)39-33)18-45(21-34-40-28-13-5-6-14-29(28)41-34)22-35-42-30-15-7-8-16-31(30)43-35/h1-16,23,46H,17-22H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)
InChIKey
WCMHDQONAKSRKK-UHFFFAOYSA-N
Compound name
1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

197
Patents

610.2917 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.29898 207.3
[M+Na]+ 633.28092 212.2
[M-H]- 609.28442 215.5
[M+NH4]+ 628.32552 207.2
[M+K]+ 649.25486 204.2
[M+H-H2O]+ 593.28896 197.4
[M+HCOO]- 655.28990 219.3
[M+CH3COO]- 669.30555 212.2
[M+Na-2H]- 631.26637 208.9
[M]+ 610.29115 212.0
[M]- 610.29225 212.0
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.