CID 447486

Cra_10972

Structural Information

Molecular Formula
C18H19ClN4O2
SMILES
CC(C)COC1=CC=CC(=C1O)C2=NC3=C(N2)C=C(C(=C3)C(=N)N)Cl
InChI
InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
InChIKey
RTSLVPMQUZXPBZ-UHFFFAOYSA-N
Compound name
6-chloro-2-[2-hydroxy-3-(2-methylpropoxy)phenyl]-1H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

358.11966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12694 183.8
[M+Na]+ 381.10888 193.0
[M-H]- 357.11238 187.0
[M+NH4]+ 376.15348 195.9
[M+K]+ 397.08282 185.6
[M+H-H2O]+ 341.11692 176.2
[M+HCOO]- 403.11786 198.6
[M+CH3COO]- 417.13351 216.3
[M+Na-2H]- 379.09433 184.2
[M]+ 358.11911 185.7
[M]- 358.12021 185.7
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

No patent data available for this compound.