CID 369686

Nsc641706

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CCC1=C(C2=C(C=CN=C2C=C1)NCCCN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H22N4O2/c1-4-12-6-7-13-15(16(12)20(21)22)14(8-10-18-13)17-9-5-11-19(2)3/h6-8,10H,4-5,9,11H2,1-3H3,(H,17,18)
InChIKey
MKIHICVXLWILFI-UHFFFAOYSA-N
Compound name
N-(6-ethyl-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 170.2
[M+Na]+ 325.16352 175.4
[M-H]- 301.16702 174.4
[M+NH4]+ 320.20812 184.4
[M+K]+ 341.13746 168.6
[M+H-H2O]+ 285.17156 166.0
[M+HCOO]- 347.17250 194.5
[M+CH3COO]- 361.18815 210.5
[M+Na-2H]- 323.14897 177.3
[M]+ 302.17375 171.5
[M]- 302.17485 171.5
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.