CID 388626

Nsc683637

Structural Information

Molecular Formula
C20H14ClN3O2
SMILES
C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC(=C(C=C3)O)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H14ClN3O2/c21-15-6-3-12(4-7-15)18-19(14-2-1-9-22-11-14)24-20(23-18)13-5-8-16(25)17(26)10-13/h1-11,25-26H,(H,23,24)
InChIKey
XBQFLECFOCZWAR-UHFFFAOYSA-N
Compound name
4-[5-(4-chlorophenyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08473 183.7
[M+Na]+ 386.06667 193.7
[M-H]- 362.07017 189.6
[M+NH4]+ 381.11127 192.4
[M+K]+ 402.04061 184.2
[M+H-H2O]+ 346.07471 173.2
[M+HCOO]- 408.07565 196.3
[M+CH3COO]- 422.09130 193.0
[M+Na-2H]- 384.05212 185.0
[M]+ 363.07690 183.4
[M]- 363.07800 183.4
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.