CID 393011

Nsc694261

Structural Information

Molecular Formula
C16H7ClN4O2
SMILES
C1=CC=C2C(=C1)N=C3N2C4=C(C=C(C=C4)[N+](=O)[O-])C(=C3C#N)Cl
InChI
InChI=1S/C16H7ClN4O2/c17-15-10-7-9(21(22)23)5-6-13(10)20-14-4-2-1-3-12(14)19-16(20)11(15)8-18/h1-7H
InChIKey
RLTLLIMCLGWMFF-UHFFFAOYSA-N
Compound name
5-chloro-3-nitrobenzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.02576 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03304 180.3
[M+Na]+ 345.01498 194.8
[M-H]- 321.01848 182.8
[M+NH4]+ 340.05958 194.6
[M+K]+ 360.98892 180.7
[M+H-H2O]+ 305.02302 169.6
[M+HCOO]- 367.02396 194.7
[M+CH3COO]- 381.03961 212.3
[M+Na-2H]- 343.00043 187.7
[M]+ 322.02521 179.6
[M]- 322.02631 179.6
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.