CID 447484

Cra_10762

Structural Information

Molecular Formula
C20H15ClN4O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=NC4=C(N3)C=C(C(=C4)C(=N)N)Cl)O
InChI
InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
InChIKey
RPGVMAPDADAHPV-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.09344 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10072 183.8
[M+Na]+ 385.08266 193.9
[M-H]- 361.08616 190.2
[M+NH4]+ 380.12726 195.3
[M+K]+ 401.05660 184.4
[M+H-H2O]+ 345.09070 175.0
[M+HCOO]- 407.09164 200.0
[M+CH3COO]- 421.10729 193.7
[M+Na-2H]- 383.06811 186.6
[M]+ 362.09289 183.3
[M]- 362.09399 183.3
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.