CID 6866787

307328-03-6

Structural Information

Molecular Formula
C15H14N4O
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C15H14N4O/c1-12(9-13-5-3-2-4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-11H,1H3,(H,19,20)/b12-9+,18-10+
InChIKey
PSYVCDUKYHYIAD-QLEPDINUSA-N
Compound name
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.11676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 161.7
[M+Na]+ 289.10598 167.0
[M-H]- 265.10948 166.5
[M+NH4]+ 284.15058 174.7
[M+K]+ 305.07992 162.9
[M+H-H2O]+ 249.11402 151.4
[M+HCOO]- 311.11496 185.5
[M+CH3COO]- 325.13061 202.0
[M+Na-2H]- 287.09143 168.5
[M]+ 266.11621 160.4
[M]- 266.11731 160.4
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.