CID 4275444

476483-13-3

Structural Information

Molecular Formula
C29H30N4O2
SMILES
CC1=CN=C(C=C1)NCC2=C(NC3=C(C2C4=CC=CC=N4)C(=O)CC(C3)C5=CC=C(C=C5)OC)C
InChI
InChI=1S/C29H30N4O2/c1-18-7-12-27(31-16-18)32-17-23-19(2)33-25-14-21(20-8-10-22(35-3)11-9-20)15-26(34)29(25)28(23)24-6-4-5-13-30-24/h4-13,16,21,28,33H,14-15,17H2,1-3H3,(H,31,32)
InChIKey
OQIXNGMPGJYSDF-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-2-methyl-3-[[(5-methylpyridin-2-yl)amino]methyl]-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.23688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.24416 220.5
[M+Na]+ 489.22610 225.8
[M-H]- 465.22960 227.7
[M+NH4]+ 484.27070 223.6
[M+K]+ 505.20004 216.7
[M+H-H2O]+ 449.23414 205.8
[M+HCOO]- 511.23508 232.7
[M+CH3COO]- 525.25073 225.8
[M+Na-2H]- 487.21155 220.3
[M]+ 466.23633 217.0
[M]- 466.23743 217.0
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.