CID 3086766

Brn 5580196

Structural Information

Molecular Formula
C15H19N3OS
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=S)NCC=C
InChI
InChI=1S/C15H19N3OS/c1-3-7-16-15(20)17-8-6-11-10-18-14-5-4-12(19-2)9-13(11)14/h3-5,9-10,18H,1,6-8H2,2H3,(H2,16,17,20)
InChIKey
BYAUAWHDNNEQPT-UHFFFAOYSA-N
Compound name
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.132156 166.3
[M+Na]+ 312.114098 173.8
[M-H]- 288.117604 168.3
[M+NH4]+ 307.158703 183.2
[M+K]+ 328.088038 167.6
[M+H-H2O]+ 272.122140 159.3
[M+HCOO]- 334.123081 184.6
[M+CH3COO]- 348.138731 202.4
[M+Na-2H]- 310.099546 168.4
[M]+ 289.12433142 169.0
[M]- 289.12542858 169.0
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.