CID 4410231

311765-09-0

Structural Information

Molecular Formula
C26H26N4O4
SMILES
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N
InChI
InChI=1S/C26H26N4O4/c1-4-34-19-11-5-16(6-12-19)23-20(15-27)25(28)29(17-7-9-18(10-8-17)30(32)33)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,28H2,1-3H3
InChIKey
LZUUGCOLINBEHE-UHFFFAOYSA-N
Compound name
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1954 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.20268 220.1
[M+Na]+ 481.18462 228.1
[M-H]- 457.18812 225.9
[M+NH4]+ 476.22922 227.1
[M+K]+ 497.15856 215.7
[M+H-H2O]+ 441.19266 207.0
[M+HCOO]- 503.19360 233.2
[M+CH3COO]- 517.20925 241.3
[M+Na-2H]- 479.17007 219.9
[M]+ 458.19485 212.4
[M]- 458.19595 212.4
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.