CID 15347458

Phenyl n'-cyano-n-(3-pyridinyl)imidocarbamate

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C(C=C1)OC(=NC2=CN=CC=C2)NC#N
InChI
InChI=1S/C13H10N4O/c14-10-16-13(17-11-5-4-8-15-9-11)18-12-6-2-1-3-7-12/h1-9H,(H,16,17)
InChIKey
QGVOAGRCOQNBBO-UHFFFAOYSA-N
Compound name
phenyl N-cyano-N'-pyridin-3-ylcarbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

238.08546 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 160.8
[M+Na]+ 261.07468 172.9
[M+NH4]+ 256.11928 165.1
[M+K]+ 277.04862 162.3
[M-H]- 237.07818 158.0
[M+Na-2H]- 259.06013 167.3
[M]+ 238.08491 160.8
[M]- 238.08601 160.8
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

patents stripe