CID 9570833

4-phenyl-1-(1-(2-pyridyl)ethylidene)semicarbazide

Structural Information

Molecular Formula
C14H14N4O
SMILES
C/C(=N\NC(=O)NC1=CC=CC=C1)/C2=CC=CC=N2
InChI
InChI=1S/C14H14N4O/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11+
InChIKey
IZBUGIQWTMEWSL-GZTJUZNOSA-N
Compound name
1-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.11676 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 157.1
[M+Na]+ 277.10598 161.7
[M-H]- 253.10948 163.5
[M+NH4]+ 272.15058 171.8
[M+K]+ 293.07992 158.8
[M+H-H2O]+ 237.11402 147.6
[M+HCOO]- 299.11496 183.4
[M+CH3COO]- 313.13061 202.2
[M+Na-2H]- 275.09143 164.8
[M]+ 254.11621 155.0
[M]- 254.11731 155.0
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.