CID 490492

1-morpholino-6-(morpholinomethyl)-4-oxo-n-(p-tolylmethyl)quinoline-3-carboxamide

Structural Information

Molecular Formula
C27H32N4O4
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)CN4CCOCC4)N5CCOCC5
InChI
InChI=1S/C27H32N4O4/c1-20-2-4-21(5-3-20)17-28-27(33)24-19-31(30-10-14-35-15-11-30)25-7-6-22(16-23(25)26(24)32)18-29-8-12-34-13-9-29/h2-7,16,19H,8-15,17-18H2,1H3,(H,28,33)
InChIKey
YVKGDEVYQWDHJW-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-1-morpholin-4-yl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.24237 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.24965 219.7
[M+Na]+ 499.23159 221.8
[M-H]- 475.23509 228.1
[M+NH4]+ 494.27619 219.5
[M+K]+ 515.20553 217.7
[M+H-H2O]+ 459.23963 204.7
[M+HCOO]- 521.24057 227.7
[M+CH3COO]- 535.25622 224.2
[M+Na-2H]- 497.21704 219.0
[M]+ 476.24182 215.0
[M]- 476.24292 215.0
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.