CID 3001702

1-[(2-indol-1-ylacetyl)amino]-3-(p-tolyl)thiourea

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32
InChI
InChI=1S/C18H18N4OS/c1-13-6-8-15(9-7-13)19-18(24)21-20-17(23)12-22-11-10-14-4-2-3-5-16(14)22/h2-11H,12H2,1H3,(H,20,23)(H2,19,21,24)
InChIKey
XMKYPHXXPOSYAU-UHFFFAOYSA-N
Compound name
1-[(2-indol-1-ylacetyl)amino]-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 177.4
[M+Na]+ 361.10934 184.4
[M-H]- 337.11284 184.2
[M+NH4]+ 356.15394 192.3
[M+K]+ 377.08328 178.4
[M+H-H2O]+ 321.11738 169.1
[M+HCOO]- 383.11832 197.7
[M+CH3COO]- 397.13397 187.9
[M+Na-2H]- 359.09479 180.9
[M]+ 338.11957 179.2
[M]- 338.12067 179.2
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.