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]+ 256.108046 155.5
[M+Na]+ 278.089988 160.8
[M-H]- 254.093494 162.2
[M+NH4]+ 273.134593 171.1
[M+K]+ 294.063928 157.4
[M+H-H2O]+ 238.098030 147.1
[M+HCOO]- 300.098971 182.9
[M+CH3COO]- 314.114621 199.6
[M+Na-2H]- 276.075436 163.0
[M]+ 255.10022142 153.5
[M]- 255.10131858 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