CID 3001096

172505-83-8

Structural Information

Molecular Formula
C11H12N4S2
SMILES
C1=CC(=CN=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C11H12N4S2/c16-10(15-11-14-6-7-17-11)13-5-3-9-2-1-4-12-8-9/h1-2,4,6-8H,3,5H2,(H2,13,14,15,16)
InChIKey
NDYVNXPQIOOZOV-UHFFFAOYSA-N
Compound name
1-(2-pyridin-3-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.05035 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05763 153.7
[M+Na]+ 287.03957 161.5
[M-H]- 263.04307 157.7
[M+NH4]+ 282.08417 169.7
[M+K]+ 303.01351 155.5
[M+H-H2O]+ 247.04761 145.9
[M+HCOO]- 309.04855 168.0
[M+CH3COO]- 323.06420 164.8
[M+Na-2H]- 285.02502 156.0
[M]+ 264.04980 154.0
[M]- 264.05090 154.0
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.