CID 273241

28649-06-1

Structural Information

Molecular Formula
C32H31N5O5
SMILES
CCOC(=O)NC1=NC2=NC=C(N=C2C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C32H31N5O5/c1-5-42-32(38)37-27-18-23(34-28(20-12-8-6-9-13-20)21-14-10-7-11-15-21)29-31(36-27)33-19-24(35-29)22-16-25(39-2)30(41-4)26(17-22)40-3/h6-19,28H,5H2,1-4H3,(H2,33,34,36,37,38)
InChIKey
WWMOGLNQVHHEOF-UHFFFAOYSA-N
Compound name
ethyl N-[8-(benzhydrylamino)-2-(3,4,5-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

565.23254 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.23982 237.9
[M+Na]+ 588.22176 241.5
[M-H]- 564.22526 246.8
[M+NH4]+ 583.26636 236.6
[M+K]+ 604.19570 236.6
[M+H-H2O]+ 548.22980 222.0
[M+HCOO]- 610.23074 254.1
[M+CH3COO]- 624.24639 242.5
[M+Na-2H]- 586.20721 240.3
[M]+ 565.23199 242.7
[M]- 565.23309 242.7
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.