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]+ 290.13216 166.3
[M+Na]+ 312.11410 173.8
[M-H]- 288.11760 168.3
[M+NH4]+ 307.15870 183.2
[M+K]+ 328.08804 167.6
[M+H-H2O]+ 272.12214 159.3
[M+HCOO]- 334.12308 184.6
[M+CH3COO]- 348.13873 202.4
[M+Na-2H]- 310.09955 168.4
[M]+ 289.12433 169.0
[M]- 289.12543 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.