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]+ 344.14272 180.8
[M+Na]+ 366.12466 184.9
[M-H]- 342.12816 186.8
[M+NH4]+ 361.16926 193.4
[M+K]+ 382.09860 179.8
[M+H-H2O]+ 326.13270 171.8
[M+HCOO]- 388.13364 200.2
[M+CH3COO]- 402.14929 217.3
[M+Na-2H]- 364.11011 182.1
[M]+ 343.13489 181.9
[M]- 343.13599 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.