CID 269592

21395-43-7

Structural Information

Molecular Formula
C22H17Cl2N5O2
SMILES
CCOC(=O)NC1=NC2=NC(=CN=C2C(=C1)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17Cl2N5O2/c1-2-31-22(30)29-19-11-17(26-16-9-7-15(24)8-10-16)20-21(28-19)27-18(12-25-20)13-3-5-14(23)6-4-13/h3-12H,2H2,1H3,(H2,26,27,28,29,30)
InChIKey
OGMHSSALIACCFS-UHFFFAOYSA-N
Compound name
ethyl N-[8-(4-chloroanilino)-3-(4-chlorophenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

453.07593 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08321 203.4
[M+Na]+ 476.06515 212.5
[M-H]- 452.06865 209.2
[M+NH4]+ 471.10975 209.6
[M+K]+ 492.03909 204.3
[M+H-H2O]+ 436.07319 191.5
[M+HCOO]- 498.07413 213.5
[M+CH3COO]- 512.08978 211.2
[M+Na-2H]- 474.05060 208.3
[M]+ 453.07538 208.5
[M]- 453.07648 208.5
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

patents stripe