CID 135589253

7275-75-4

Structural Information

Molecular Formula
C12H14N4S
SMILES
CCNC(=S)N/N=C/C1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H14N4S/c1-2-13-12(17)16-15-8-9-7-14-11-6-4-3-5-10(9)11/h3-8,14H,2H2,1H3,(H2,13,16,17)/b15-8+
InChIKey
YLHXQEICYDZJSX-OVCLIPMQSA-N
Compound name
1-ethyl-3-[(E)-1H-indol-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.09392 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10120 154.1
[M+Na]+ 269.08314 163.7
[M+NH4]+ 264.12774 162.0
[M+K]+ 285.05708 156.7
[M-H]- 245.08664 157.1
[M+Na-2H]- 267.06859 159.7
[M]+ 246.09337 156.4
[M]- 246.09447 156.4
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.