CID 24707277

3-{4-[1-(hydroxyimino)ethyl]phenyl}-1-phenylurea

Structural Information

Molecular Formula
C15H15N3O2
SMILES
C/C(=N\O)/C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O2/c1-11(18-20)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10,20H,1H3,(H2,16,17,19)/b18-11+
InChIKey
MNFHPLAACXQPQT-WOJGMQOQSA-N
Compound name
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 161.0
[M+Na]+ 292.105638 165.5
[M-H]- 268.109144 167.5
[M+NH4]+ 287.150243 175.9
[M+K]+ 308.079578 162.4
[M+H-H2O]+ 252.113680 152.4
[M+HCOO]- 314.114621 186.9
[M+CH3COO]- 328.130271 203.5
[M+Na-2H]- 290.091086 166.6
[M]+ 269.11587142 158.6
[M]- 269.11696858 158.6
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.