CID 5277373

Carbamic acid, [3-(4-methoxyphenyl)-2,5-dimethylpyrido[3,4-b]pyrazin-7-yl]-, ethyl ester

Structural Information

Molecular Formula
C19H20N4O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=C(C(=N2)C3=CC=C(C=C3)OC)C)C
InChI
InChI=1S/C19H20N4O3/c1-5-26-19(24)22-16-10-15-18(12(3)21-16)23-17(11(2)20-15)13-6-8-14(25-4)9-7-13/h6-10H,5H2,1-4H3,(H,21,22,24)
InChIKey
LLIFYOFULRLDDX-UHFFFAOYSA-N
Compound name
ethyl N-[3-(4-methoxyphenyl)-2,5-dimethylpyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.15353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 186.5
[M+Na]+ 375.14275 195.7
[M-H]- 351.14625 190.8
[M+NH4]+ 370.18735 196.5
[M+K]+ 391.11669 191.0
[M+H-H2O]+ 335.15079 175.5
[M+HCOO]- 397.15173 205.4
[M+CH3COO]- 411.16738 218.7
[M+Na-2H]- 373.12820 190.9
[M]+ 352.15298 191.4
[M]- 352.15408 191.4
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

No patent data available for this compound.