CID 5277367

Carbamic acid, [8-[[[4-(methylsulfonyl)phenyl]methyl]amino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]-, ethyl ester

Structural Information

Molecular Formula
C30H27N5O4S
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)NCC3=CC=C(C=C3)S(=O)(=O)C)N=C(C(=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H27N5O4S/c1-3-39-30(36)33-25-18-24(31-19-20-14-16-23(17-15-20)40(2,37)38)28-29(32-25)35-27(22-12-8-5-9-13-22)26(34-28)21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3,(H2,31,32,33,35,36)
InChIKey
ZPXCTAYMGLEABE-UHFFFAOYSA-N
Compound name
ethyl N-[8-[(4-methylsulfonylphenyl)methylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.1784 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.18568 232.3
[M+Na]+ 576.16762 237.9
[M-H]- 552.17112 241.2
[M+NH4]+ 571.21222 232.3
[M+K]+ 592.14156 230.2
[M+H-H2O]+ 536.17566 218.7
[M+HCOO]- 598.17660 244.5
[M+CH3COO]- 612.19225 237.4
[M+Na-2H]- 574.15307 237.3
[M]+ 553.17785 235.7
[M]- 553.17895 235.7
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.