CID 3025189

102259-68-7

Structural Information

Molecular Formula
C18H26N4O2
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C18H26N4O2/c1-4-21(5-2)12-6-7-14(3)20-18-10-11-19-17-9-8-15(22(23)24)13-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,19,20)
InChIKey
VXBNCOZSCHIUCP-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(6-nitroquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 179.3
[M+Na]+ 353.19479 182.4
[M-H]- 329.19829 182.8
[M+NH4]+ 348.23939 191.9
[M+K]+ 369.16873 175.7
[M+H-H2O]+ 313.20283 174.6
[M+HCOO]- 375.20377 201.9
[M+CH3COO]- 389.21942 216.0
[M+Na-2H]- 351.18024 184.9
[M]+ 330.20502 180.2
[M]- 330.20612 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.