CID 765107

1-ethyl-3-[2-(1h-indol-3-yl)ethyl]thiourea

Structural Information

Molecular Formula
C13H17N3S
SMILES
CCNC(=S)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H17N3S/c1-2-14-13(17)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H2,14,15,17)
InChIKey
DTNUOHQIAMEWKG-UHFFFAOYSA-N
Compound name
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

247.11432 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12160 154.3
[M+Na]+ 270.10354 161.9
[M-H]- 246.10704 156.4
[M+NH4]+ 265.14814 172.9
[M+K]+ 286.07748 156.2
[M+H-H2O]+ 230.11158 147.7
[M+HCOO]- 292.11252 173.0
[M+CH3COO]- 306.12817 193.9
[M+Na-2H]- 268.08899 158.0
[M]+ 247.11377 155.3
[M]- 247.11487 155.3
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.