CID 5277676

Benzyl n-[3-(benzyloxycarbonylamino)-8-chloro-pyrido[2,3-b]pyrazin-6-yl]carbamate

Structural Information

Molecular Formula
C23H18ClN5O4
SMILES
C1=CC=C(C=C1)COC(=O)NC2=NC3=NC(=CN=C3C(=C2)Cl)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C23H18ClN5O4/c24-17-11-18(28-22(30)32-13-15-7-3-1-4-8-15)26-21-20(17)25-12-19(27-21)29-23(31)33-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,26,27,28,29,30,31)
InChIKey
RWOVALYGEGNFLM-UHFFFAOYSA-N
Compound name
benzyl N-[8-chloro-3-(phenylmethoxycarbonylamino)pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.10474 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.11202 204.3
[M+Na]+ 486.09396 210.4
[M-H]- 462.09746 210.5
[M+NH4]+ 481.13856 208.7
[M+K]+ 502.06790 204.2
[M+H-H2O]+ 446.10200 191.6
[M+HCOO]- 508.10294 218.9
[M+CH3COO]- 522.11859 211.5
[M+Na-2H]- 484.07941 210.7
[M]+ 463.10419 208.7
[M]- 463.10529 208.7
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.