CID 3061178

78806-23-2

Structural Information

Molecular Formula
C15H19ClN4O2
SMILES
CCN(CC)CCNC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H19ClN4O2/c1-3-19(4-2)8-7-18-13-5-6-17-14-10-12(16)15(20(21)22)9-11(13)14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKey
XUILFOYTCOSWCT-UHFFFAOYSA-N
Compound name
N-(7-chloro-6-nitroquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12694 173.5
[M+Na]+ 345.10888 179.5
[M-H]- 321.11238 177.3
[M+NH4]+ 340.15348 187.6
[M+K]+ 361.08282 171.5
[M+H-H2O]+ 305.11692 170.3
[M+HCOO]- 367.11786 193.5
[M+CH3COO]- 381.13351 211.1
[M+Na-2H]- 343.09433 180.3
[M]+ 322.11911 176.6
[M]- 322.12021 176.6
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.