CID 150005

82586-02-5

Structural Information

Molecular Formula
C16H18N6O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C16H18N6O2/c1-2-24-16(23)22-13-7-11-14(15(18)21-13)20-12(8-19-11)9-3-5-10(17)6-4-9/h3-7,19H,2,8,17H2,1H3,(H3,18,21,22,23)
InChIKey
OYHTZOLNNSQJLH-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(4-aminophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.1491 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15638 176.3
[M+Na]+ 349.13832 183.1
[M-H]- 325.14182 178.2
[M+NH4]+ 344.18292 185.3
[M+K]+ 365.11226 177.4
[M+H-H2O]+ 309.14636 166.1
[M+HCOO]- 371.14730 194.3
[M+CH3COO]- 385.16295 184.8
[M+Na-2H]- 347.12377 181.2
[M]+ 326.14855 172.3
[M]- 326.14965 172.3
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

No patent data available for this compound.