CID 135400609

2-hydroxybenzaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C14H13N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/b15-10+
InChIKey
KJQAVFPMYZFAEU-XNTDXEJSSA-N
Compound name
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 155.5
[M+Na]+ 278.08999 160.8
[M-H]- 254.09349 162.2
[M+NH4]+ 273.13459 171.1
[M+K]+ 294.06393 157.4
[M+H-H2O]+ 238.09803 147.1
[M+HCOO]- 300.09897 182.9
[M+CH3COO]- 314.11462 199.6
[M+Na-2H]- 276.07544 163.0
[M]+ 255.10022 153.5
[M]- 255.10132 153.5
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