CID 133466

Refchem:921280

Structural Information

Molecular Formula
C18H22N6O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)CN(C)C3=CC=CC=C3)N
InChI
InChI=1S/C18H22N6O2/c1-3-26-18(25)23-15-9-14-16(17(19)22-15)21-12(10-20-14)11-24(2)13-7-5-4-6-8-13/h4-9,20H,3,10-11H2,1-2H3,(H3,19,22,23,25)
InChIKey
KNHPZFQUZAMWBV-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

30
Patents

354.18042 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.187696 183.6
[M+Na]+ 377.169638 188.5
[M-H]- 353.173144 186.5
[M+NH4]+ 372.214243 191.9
[M+K]+ 393.143578 184.0
[M+H-H2O]+ 337.177680 172.5
[M+HCOO]- 399.178621 202.0
[M+CH3COO]- 413.194271 222.3
[M+Na-2H]- 375.155086 188.6
[M]+ 354.17987142 181.9
[M]- 354.18096858 181.9
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