CID 100669

82585-92-0

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)C)N
InChI
InChI=1S/C17H19N5O2/c1-3-24-17(23)22-14-8-12-15(16(18)21-14)20-13(9-19-12)11-6-4-10(2)5-7-11/h4-8,19H,3,9H2,1-2H3,(H3,18,21,22,23)
InChIKey
LOSVFNDAEKTRMV-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(4-methylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

9
Patents

325.15387 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.161146 178.4
[M+Na]+ 348.143088 185.5
[M-H]- 324.146594 180.4
[M+NH4]+ 343.187693 188.0
[M+K]+ 364.117028 179.7
[M+H-H2O]+ 308.151130 168.1
[M+HCOO]- 370.152071 195.5
[M+CH3COO]- 384.167721 212.2
[M+Na-2H]- 346.128536 182.9
[M]+ 325.15332142 176.2
[M]- 325.15441858 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe