CID 2747162

206559-37-7

Structural Information

Molecular Formula
C14H15N3OS
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NN
InChI
InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)
InChIKey
SSEUFZMKDSZKBU-UHFFFAOYSA-N
Compound name
1-amino-3-(4-phenylmethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

273.0936 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10088 159.4
[M+Na]+ 296.08282 164.7
[M-H]- 272.08632 165.3
[M+NH4]+ 291.12742 174.6
[M+K]+ 312.05676 159.5
[M+H-H2O]+ 256.09086 151.1
[M+HCOO]- 318.09180 180.3
[M+CH3COO]- 332.10745 202.0
[M+Na-2H]- 294.06827 163.4
[M]+ 273.09305 157.8
[M]- 273.09415 157.8
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.