CID 3033090

Brn 4560676

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CC1=CC(=CC=C1)NC(=S)NNC(=O)CC2=C(NC3=CC=CC=C32)C
InChI
InChI=1S/C19H20N4OS/c1-12-6-5-7-14(10-12)21-19(25)23-22-18(24)11-16-13(2)20-17-9-4-3-8-15(16)17/h3-10,20H,11H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKey
WWKQISBESFMFRA-UHFFFAOYSA-N
Compound name
1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 182.6
[M+Na]+ 375.12499 193.2
[M+NH4]+ 370.16959 189.6
[M+K]+ 391.09893 186.2
[M-H]- 351.12849 187.2
[M+Na-2H]- 373.11044 189.1
[M]+ 352.13522 185.6
[M]- 352.13632 185.6
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.