CID 419348

21271-76-1

Structural Information

Molecular Formula
C31H36Cl2N6O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)NC(=O)OCC
InChI
InChI=1S/C31H36Cl2N6O2/c1-5-39(6-2)18-8-9-20(4)34-25-19-26(36-31(40)41-7-3)35-30-29(25)37-27(21-10-14-23(32)15-11-21)28(38-30)22-12-16-24(33)17-13-22/h10-17,19-20H,5-9,18H2,1-4H3,(H2,34,35,36,38,40)
InChIKey
BHCAEFJMGWQOTP-UHFFFAOYSA-N
Compound name
ethyl N-[2,3-bis(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

594.22766 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.23494 244.3
[M+Na]+ 617.21688 248.9
[M-H]- 593.22038 250.3
[M+NH4]+ 612.26148 245.2
[M+K]+ 633.19082 241.5
[M+H-H2O]+ 577.22492 230.9
[M+HCOO]- 639.22586 252.0
[M+CH3COO]- 653.24151 268.5
[M+Na-2H]- 615.20233 243.3
[M]+ 594.22711 252.9
[M]- 594.22821 252.9
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.