CID 5277691

Propyl n-[8-(benzhydrylamino)-2,3-bis(3,4,5-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate

Structural Information

Molecular Formula
C42H43N5O8
SMILES
CCCOC(=O)NC1=NC2=C(C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)N=C(C(=N2)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=C(C(=C6)OC)OC)OC
InChI
InChI=1S/C42H43N5O8/c1-8-19-55-42(48)45-34-24-29(43-35(25-15-11-9-12-16-25)26-17-13-10-14-18-26)38-41(44-34)47-37(28-22-32(51-4)40(54-7)33(23-28)52-5)36(46-38)27-20-30(49-2)39(53-6)31(21-27)50-3/h9-18,20-24,35H,8,19H2,1-7H3,(H2,43,44,45,47,48)
InChIKey
YKJYFLXRKSKQMU-UHFFFAOYSA-N
Compound name
propyl N-[8-(benzhydrylamino)-2,3-bis(3,4,5-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

745.31116 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.31844 281.2
[M+Na]+ 768.30038 282.3
[M-H]- 744.30388 292.5
[M+NH4]+ 763.34498 271.9
[M+K]+ 784.27432 280.2
[M+H-H2O]+ 728.30842 262.0
[M+HCOO]- 790.30936 294.1
[M+CH3COO]- 804.32501 294.1
[M+Na-2H]- 766.28583 278.9
[M]+ 745.31061 290.7
[M]- 745.31171 290.7
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.