CID 204336

Carbamimidothioic acid, 2-(phenylamino)ethyl ester, dihydrobromide

Structural Information

Molecular Formula
C9H13N3S
SMILES
C1=CC=C(C=C1)NCCSC(=N)N
InChI
InChI=1S/C9H13N3S/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H3,10,11)
InChIKey
IWNFHNCRBXFYSL-UHFFFAOYSA-N
Compound name
2-anilinoethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08302 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 140.4
[M+Na]+ 218.07224 145.5
[M-H]- 194.07574 143.1
[M+NH4]+ 213.11684 158.9
[M+K]+ 234.04618 141.6
[M+H-H2O]+ 178.08028 133.4
[M+HCOO]- 240.08122 160.9
[M+CH3COO]- 254.09687 188.6
[M+Na-2H]- 216.05769 144.4
[M]+ 195.08247 137.7
[M]- 195.08357 137.7
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.