CID 5277368

Carbamic acid, [2-(4-chlorophenyl)-8-[[3-(ethylmethylamino)propyl]methylamino]pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester

Structural Information

Molecular Formula
C23H29ClN6O2
SMILES
CCN(C)CCCN(C)C1=CC(=NC2=NC=C(N=C12)C3=CC=C(C=C3)Cl)NC(=O)OCC
InChI
InChI=1S/C23H29ClN6O2/c1-5-29(3)12-7-13-30(4)19-14-20(28-23(31)32-6-2)27-22-21(19)26-18(15-25-22)16-8-10-17(24)11-9-16/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,25,27,28,31)
InChIKey
AIOHFEZKMXKDJG-UHFFFAOYSA-N
Compound name
ethyl N-[2-(4-chlorophenyl)-8-[3-[ethyl(methyl)amino]propyl-methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.20404 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.21132 212.1
[M+Na]+ 479.19326 217.7
[M-H]- 455.19676 217.7
[M+NH4]+ 474.23786 218.9
[M+K]+ 495.16720 213.2
[M+H-H2O]+ 439.20130 199.9
[M+HCOO]- 501.20224 228.0
[M+CH3COO]- 515.21789 246.8
[M+Na-2H]- 477.17871 214.9
[M]+ 456.20349 220.0
[M]- 456.20459 220.0
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.