CID 470910

N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

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]+ 244.108046 153.8
[M+Na]+ 266.089988 160.9
[M-H]- 242.093494 157.8
[M+NH4]+ 261.134593 167.8
[M+K]+ 282.063928 157.7
[M+H-H2O]+ 226.098030 144.4
[M+HCOO]- 288.098971 176.6
[M+CH3COO]- 302.114621 193.8
[M+Na-2H]- 264.075436 161.2
[M]+ 243.10022142 154.6
[M]- 243.10131858 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

literature stripe

Patent stripe

No patent data available for this compound.