CID 135770347

186453-53-2

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CC(C)OC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C18H21N3O2S/c1-13(2)23-16-9-7-14(8-10-16)11-19-18(24)21-20-12-15-5-3-4-6-17(15)22/h3-10,12-13,22H,11H2,1-2H3,(H2,19,21,24)/b20-12+
InChIKey
NCQZREUMPIVVLO-UDWIEESQSA-N
Compound name
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13544 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.142716 180.8
[M+Na]+ 366.124658 184.9
[M-H]- 342.128164 186.8
[M+NH4]+ 361.169263 193.4
[M+K]+ 382.098598 179.8
[M+H-H2O]+ 326.132700 171.8
[M+HCOO]- 388.133641 200.2
[M+CH3COO]- 402.149291 217.3
[M+Na-2H]- 364.110106 182.1
[M]+ 343.13489142 181.9
[M]- 343.13598858 181.9
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.