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 187.5
[M+Na]+ 387.15582 191.9
[M-H]- 363.15932 190.8
[M+NH4]+ 382.20042 199.8
[M+K]+ 403.12976 183.7
[M+H-H2O]+ 347.16386 183.9
[M+HCOO]- 409.16480 205.4
[M+CH3COO]- 423.18045 220.7
[M+Na-2H]- 385.14127 191.6
[M]+ 364.16605 191.0
[M]- 364.16715 191.0
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.