CID 490493

N-benzyl-1-morpholino-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide

Structural Information

Molecular Formula
C26H30N4O4
SMILES
C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=CC=C4)N5CCOCC5
InChI
InChI=1S/C26H30N4O4/c31-25-22-16-21(18-28-8-12-33-13-9-28)6-7-24(22)30(29-10-14-34-15-11-29)19-23(25)26(32)27-17-20-4-2-1-3-5-20/h1-7,16,19H,8-15,17-18H2,(H,27,32)
InChIKey
QGKHPOVBEAOUPV-UHFFFAOYSA-N
Compound name
N-benzyl-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

462.2267 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23398 213.6
[M+Na]+ 485.21592 215.3
[M-H]- 461.21942 221.7
[M+NH4]+ 480.26052 213.7
[M+K]+ 501.18986 211.3
[M+H-H2O]+ 445.22396 198.6
[M+HCOO]- 507.22490 222.0
[M+CH3COO]- 521.24055 218.2
[M+Na-2H]- 483.20137 214.2
[M]+ 462.22615 208.1
[M]- 462.22725 208.1
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.