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

3
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

patents stripe