CID 2893271

361194-50-5

Structural Information

Molecular Formula
C25H26N4O4
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H26N4O4/c1-14-6-5-7-20(26-14)28-24(31)21-15(2)27-18-12-25(3,4)13-19(30)23(18)22(21)16-8-10-17(11-9-16)29(32)33/h5-11,22,27H,12-13H2,1-4H3,(H,26,28,31)
InChIKey
MNMCMNJCJXYIIQ-UHFFFAOYSA-N
Compound name
2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20268 207.7
[M+Na]+ 469.18462 212.3
[M-H]- 445.18812 214.0
[M+NH4]+ 464.22922 214.6
[M+K]+ 485.15856 202.3
[M+H-H2O]+ 429.19266 200.7
[M+HCOO]- 491.19360 222.0
[M+CH3COO]- 505.20925 229.7
[M+Na-2H]- 467.17007 210.3
[M]+ 446.19485 203.2
[M]- 446.19595 203.2
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.