CID 3034516

Semicarbazide, 4-allyl-1-phenyl-3-thio-

Structural Information

Molecular Formula
C10H13N3S
SMILES
C=CCNC(=S)NNC1=CC=CC=C1
InChI
InChI=1S/C10H13N3S/c1-2-8-11-10(14)13-12-9-6-4-3-5-7-9/h2-7,12H,1,8H2,(H2,11,13,14)
InChIKey
ILMQLIPLNJWMGA-UHFFFAOYSA-N
Compound name
1-anilino-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 144.2
[M+Na]+ 230.07224 149.2
[M-H]- 206.07574 147.4
[M+NH4]+ 225.11684 162.5
[M+K]+ 246.04618 144.8
[M+H-H2O]+ 190.08028 137.1
[M+HCOO]- 252.08122 165.2
[M+CH3COO]- 266.09687 190.7
[M+Na-2H]- 228.05769 148.7
[M]+ 207.08247 142.0
[M]- 207.08357 142.0
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.