CID 413774

Nsc 220037

Structural Information

Molecular Formula
C10H13N3OS
SMILES
C1=CC=C(C=C1)NC(=O)CCSC(=N)N
InChI
InChI=1S/C10H13N3OS/c11-10(12)15-7-6-9(14)13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12)(H,13,14)
InChIKey
XPNOIADGBDNCBT-UHFFFAOYSA-N
Compound name
(3-anilino-3-oxopropyl) carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07793 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 149.1
[M+Na]+ 246.06715 156.9
[M+NH4]+ 241.11175 156.3
[M+K]+ 262.04109 150.1
[M-H]- 222.07065 151.6
[M+Na-2H]- 244.05260 154.1
[M]+ 223.07738 150.9
[M]- 223.07848 150.9
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.