CID 111409

Dtxsid60887556

Structural Information

Molecular Formula
C24H27N7O5
SMILES
CCC(=O)NC1=C(C=C2C(CC(N(C2=C1)CC)(C)C)C)N=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C#N
InChI
InChI=1S/C24H27N7O5/c1-6-22(32)26-18-11-20-17(14(3)12-24(4,5)29(20)7-2)10-19(18)27-28-23-15(13-25)8-16(30(33)34)9-21(23)31(35)36/h8-11,14H,6-7,12H2,1-5H3,(H,26,32)
InChIKey
AHKSRSQWXRJWII-UHFFFAOYSA-N
Compound name
N-[6-[(2-cyano-4,6-dinitrophenyl)diazenyl]-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.20737 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.21465 225.0
[M+Na]+ 516.19659 229.4
[M-H]- 492.20009 230.2
[M+NH4]+ 511.24119 230.4
[M+K]+ 532.17053 217.7
[M+H-H2O]+ 476.20463 216.3
[M+HCOO]- 538.20557 242.3
[M+CH3COO]- 552.22122 249.7
[M+Na-2H]- 514.18204 228.1
[M]+ 493.20682 218.5
[M]- 493.20792 218.5
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.