CID 470910

N-[(4-methoxyphenyl)methyl]pyrazin-2-ylcarboxamide

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C13H13N3O2/c1-18-11-4-2-10(3-5-11)8-16-13(17)12-9-14-6-7-15-12/h2-7,9H,8H2,1H3,(H,16,17)
InChIKey
TZDWOSAKHWDELS-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

243.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.8
[M+Na]+ 266.08999 160.9
[M-H]- 242.09349 157.8
[M+NH4]+ 261.13459 167.8
[M+K]+ 282.06393 157.7
[M+H-H2O]+ 226.09803 144.4
[M+HCOO]- 288.09897 176.6
[M+CH3COO]- 302.11462 193.8
[M+Na-2H]- 264.07544 161.2
[M]+ 243.10022 154.6
[M]- 243.10132 154.6
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.