CID 372047

Nsc646861

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CC1=C(N=C2C=CC=C(C2=C1NCCCN(C)C)[N+](=O)[O-])C
InChI
InChI=1S/C16H22N4O2/c1-11-12(2)18-13-7-5-8-14(20(21)22)15(13)16(11)17-9-6-10-19(3)4/h5,7-8H,6,9-10H2,1-4H3,(H,17,18)
InChIKey
ZQYXRTWGRYOUBC-UHFFFAOYSA-N
Compound name
N-(2,3-dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1743 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 170.6
[M+Na]+ 325.16352 176.7
[M-H]- 301.16702 175.2
[M+NH4]+ 320.20812 185.1
[M+K]+ 341.13746 170.0
[M+H-H2O]+ 285.17156 166.6
[M+HCOO]- 347.17250 194.8
[M+CH3COO]- 361.18815 211.6
[M+Na-2H]- 323.14897 177.0
[M]+ 302.17375 172.2
[M]- 302.17485 172.2
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.