CID 909362

14673-56-4

Structural Information

Molecular Formula
C10H13N3S
SMILES
CC(=NNC(=S)NC1=CC=CC=C1)C
InChI
InChI=1S/C10H13N3S/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,13,14)
InChIKey
AYODCYOTZCCVLO-UHFFFAOYSA-N
Compound name
1-phenyl-3-(propan-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.08302 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 145.7
[M+Na]+ 230.07224 150.9
[M-H]- 206.07574 150.5
[M+NH4]+ 225.11684 164.7
[M+K]+ 246.04618 148.0
[M+H-H2O]+ 190.08028 138.4
[M+HCOO]- 252.08122 167.2
[M+CH3COO]- 266.09687 193.4
[M+Na-2H]- 228.05769 149.4
[M]+ 207.08247 144.7
[M]- 207.08357 144.7
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

patents stripe