CID 3033087

1h-indole-3-acetic acid, 2-methyl-, 2-((cyclohexylamino)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C18H24N4OS
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNC(=S)NC3CCCCC3
InChI
InChI=1S/C18H24N4OS/c1-12-15(14-9-5-6-10-16(14)19-12)11-17(23)21-22-18(24)20-13-7-3-2-4-8-13/h5-6,9-10,13,19H,2-4,7-8,11H2,1H3,(H,21,23)(H2,20,22,24)
InChIKey
YKLHYJVYZUWBQT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16708 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17436 178.0
[M+Na]+ 367.15630 181.5
[M-H]- 343.15980 182.1
[M+NH4]+ 362.20090 191.7
[M+K]+ 383.13024 175.5
[M+H-H2O]+ 327.16434 170.2
[M+HCOO]- 389.16528 192.7
[M+CH3COO]- 403.18093 213.2
[M+Na-2H]- 365.14175 178.7
[M]+ 344.16653 173.9
[M]- 344.16763 173.9
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.