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 152.3
[M+Na]+ 269.08314 160.2
[M-H]- 245.08664 156.0
[M+NH4]+ 264.12774 171.2
[M+K]+ 285.05708 154.9
[M+H-H2O]+ 229.09118 145.2
[M+HCOO]- 291.09212 174.0
[M+CH3COO]- 305.10777 197.0
[M+Na-2H]- 267.06859 157.6
[M]+ 246.09337 153.3
[M]- 246.09447 153.3
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.