CID 1640883

Stk972378

Structural Information

Molecular Formula
C14H14N4O2S
SMILES
CC(=O)N1C2=CC=CC=C2C(=C1O)N=NC(=S)NCC=C
InChI
InChI=1S/C14H14N4O2S/c1-3-8-15-14(21)17-16-12-10-6-4-5-7-11(10)18(9(2)19)13(12)20/h3-7,20H,1,8H2,2H3,(H,15,21)
InChIKey
MYVHWUICIRUGNE-UHFFFAOYSA-N
Compound name
1-(1-acetyl-2-hydroxyindol-3-yl)imino-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.08374 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09102 168.9
[M+Na]+ 325.07296 177.7
[M-H]- 301.07646 174.4
[M+NH4]+ 320.11756 186.3
[M+K]+ 341.04690 173.3
[M+H-H2O]+ 285.08100 161.4
[M+HCOO]- 347.08194 190.8
[M+CH3COO]- 361.09759 210.7
[M+Na-2H]- 323.05841 171.2
[M]+ 302.08319 173.7
[M]- 302.08429 173.7
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.