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]+ 365.173876 187.5
[M+Na]+ 387.155818 191.9
[M-H]- 363.159324 190.8
[M+NH4]+ 382.200423 199.8
[M+K]+ 403.129758 183.7
[M+H-H2O]+ 347.163860 183.9
[M+HCOO]- 409.164801 205.4
[M+CH3COO]- 423.180451 220.7
[M+Na-2H]- 385.141266 191.6
[M]+ 364.16605142 191.0
[M]- 364.16714858 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.