CID 3025183

78703-80-7

Structural Information

Molecular Formula
C18H25ClN4O2
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C18H25ClN4O2/c1-4-22(5-2)10-6-7-13(3)21-16-8-9-20-17-12-15(19)18(23(24)25)11-14(16)17/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21)
InChIKey
ZGRWXRFFFMOFJD-UHFFFAOYSA-N
Compound name
4-N-(7-chloro-6-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1666 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17388 184.9
[M+Na]+ 387.15582 197.4
[M+NH4]+ 382.20042 192.2
[M+K]+ 403.12976 192.2
[M-H]- 363.15932 189.5
[M+Na-2H]- 385.14127 189.8
[M]+ 364.16605 188.1
[M]- 364.16715 188.1
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.