CID 136169645

Chembl477595

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CC1=CC=C(C=C1)NC(=S)N=NC2=C(N(C3=C2C=C(C=C3)C)C)O
InChI
InChI=1S/C18H18N4OS/c1-11-4-7-13(8-5-11)19-18(24)21-20-16-14-10-12(2)6-9-15(14)22(3)17(16)23/h4-10,23H,1-3H3,(H,19,24)
InChIKey
LOCDAIPNUGFUPN-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-1,5-dimethylindol-3-yl)imino-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 179.5
[M+Na]+ 361.10934 189.8
[M-H]- 337.11284 188.6
[M+NH4]+ 356.15394 195.9
[M+K]+ 377.08328 184.0
[M+H-H2O]+ 321.11738 171.3
[M+HCOO]- 383.11832 202.1
[M+CH3COO]- 397.13397 220.1
[M+Na-2H]- 359.09479 182.0
[M]+ 338.11957 184.9
[M]- 338.12067 184.9
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.