CID 135746651

[(e)-[(4-hydroxyphenyl)-phenyl-methylene]amino]thiourea

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1=CC=C(C=C1)/C(=N\NC(=S)N)/C2=CC=C(C=C2)O
InChI
InChI=1S/C14H13N3OS/c15-14(19)17-16-13(10-4-2-1-3-5-10)11-6-8-12(18)9-7-11/h1-9,18H,(H3,15,17,19)/b16-13+
InChIKey
RGIBSUYCRAFYBX-DTQAZKPQSA-N
Compound name
[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 159.9
[M+Na]+ 294.06716 165.2
[M-H]- 270.07066 165.9
[M+NH4]+ 289.11176 175.0
[M+K]+ 310.04110 159.9
[M+H-H2O]+ 254.07520 151.9
[M+HCOO]- 316.07614 179.9
[M+CH3COO]- 330.09179 202.1
[M+Na-2H]- 292.05261 162.7
[M]+ 271.07739 157.1
[M]- 271.07849 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.