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

23
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 156.6
[M+Na]+ 261.07468 164.4
[M-H]- 237.07818 161.0
[M+NH4]+ 256.11928 170.2
[M+K]+ 277.04862 160.2
[M+H-H2O]+ 221.08272 140.7
[M+HCOO]- 283.08366 178.4
[M+CH3COO]- 297.09931 206.1
[M+Na-2H]- 259.06013 163.9
[M]+ 238.08491 150.5
[M]- 238.08601 150.5
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