CID 3033088

Brn 4551332

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C18H18N4OS/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/h2-10,19H,11H2,1H3,(H,21,23)(H2,20,22,24)
InChIKey
PEFKHSSQWUWSOD-UHFFFAOYSA-N
Compound name
1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 177.5
[M+Na]+ 361.10934 187.9
[M+NH4]+ 356.15394 184.7
[M+K]+ 377.08328 181.0
[M-H]- 337.11284 182.1
[M+Na-2H]- 359.09479 184.5
[M]+ 338.11957 180.5
[M]- 338.12067 180.5
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.