CID 3025185

7-chloro-4-((3-(diethylamino)propyl)amino)-6-nitroquinoline diphosphate

Structural Information

Molecular Formula
C16H21ClN4O2
SMILES
CCN(CC)CCCNC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H21ClN4O2/c1-3-20(4-2)9-5-7-18-14-6-8-19-15-11-13(17)16(21(22)23)10-12(14)15/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,18,19)
InChIKey
ABCLPYSJKWHFCH-UHFFFAOYSA-N
Compound name
N-(7-chloro-6-nitroquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1353 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14258 178.3
[M+Na]+ 359.12452 183.9
[M-H]- 335.12802 181.9
[M+NH4]+ 354.16912 191.8
[M+K]+ 375.09846 175.6
[M+H-H2O]+ 319.13256 174.9
[M+HCOO]- 381.13350 197.9
[M+CH3COO]- 395.14915 214.1
[M+Na-2H]- 357.10997 184.6
[M]+ 336.13475 181.7
[M]- 336.13585 181.7
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.