CID 398940

Nlcq1 free base

Structural Information

Molecular Formula
C15H14ClN5O2
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)NCCCN3C=CN=C3[N+](=O)[O-]
InChI
InChI=1S/C15H14ClN5O2/c16-11-2-3-12-13(4-6-18-14(12)10-11)17-5-1-8-20-9-7-19-15(20)21(22)23/h2-4,6-7,9-10H,1,5,8H2,(H,17,18)
InChIKey
PDSVGSZYJOFNPR-UHFFFAOYSA-N
Compound name
7-chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

38
Patents

331.0836 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09088 172.8
[M+Na]+ 354.07282 181.1
[M-H]- 330.07632 176.8
[M+NH4]+ 349.11742 184.9
[M+K]+ 370.04676 170.8
[M+H-H2O]+ 314.08086 167.4
[M+HCOO]- 376.08180 191.9
[M+CH3COO]- 390.09745 203.8
[M+Na-2H]- 352.05827 181.4
[M]+ 331.08305 175.6
[M]- 331.08415 175.6
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.