CID 270936

21271-80-7

Structural Information

Molecular Formula
C17H16ClN5O2
SMILES
CCOC(=O)NC1=NC2=NC(=CN=C2C(=C1)NC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C17H16ClN5O2/c1-3-25-17(24)23-14-8-13(21-12-6-4-11(18)5-7-12)15-16(22-14)20-10(2)9-19-15/h4-9H,3H2,1-2H3,(H2,20,21,22,23,24)
InChIKey
JDINPLNYXAYCFL-UHFFFAOYSA-N
Compound name
ethyl N-[8-(4-chloroanilino)-3-methylpyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.09924 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10652 182.3
[M+Na]+ 380.08846 191.5
[M-H]- 356.09196 186.2
[M+NH4]+ 375.13306 192.5
[M+K]+ 396.06240 185.2
[M+H-H2O]+ 340.09650 172.0
[M+HCOO]- 402.09744 198.3
[M+CH3COO]- 416.11309 192.0
[M+Na-2H]- 378.07391 188.8
[M]+ 357.09869 186.4
[M]- 357.09979 186.4
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