CID 3001703

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

Structural Information

Molecular Formula
C21H18N4OS
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=S)NNC(=O)CN3C=CC4=CC=CC=C43
InChI
InChI=1S/C21H18N4OS/c26-20(14-25-13-12-16-7-2-4-11-19(16)25)23-24-21(27)22-18-10-5-8-15-6-1-3-9-17(15)18/h1-13H,14H2,(H,23,26)(H2,22,24,27)
InChIKey
XMUPUUYQLBZMJY-UHFFFAOYSA-N
Compound name
1-[(2-indol-1-ylacetyl)amino]-3-naphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12740 183.2
[M+Na]+ 397.10934 190.2
[M-H]- 373.11284 190.5
[M+NH4]+ 392.15394 197.3
[M+K]+ 413.08328 183.4
[M+H-H2O]+ 357.11738 174.9
[M+HCOO]- 419.11832 202.4
[M+CH3COO]- 433.13397 193.1
[M+Na-2H]- 395.09479 188.9
[M]+ 374.11957 185.1
[M]- 374.12067 185.1
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.