CID 3004583

Nsc658500

Structural Information

Molecular Formula
C11H12N4O2S
SMILES
C1=CC=C(C=C1)NC(=S)NC=C(C(=O)N)C(=O)N
InChI
InChI=1S/C11H12N4O2S/c12-9(16)8(10(13)17)6-14-11(18)15-7-4-2-1-3-5-7/h1-6H,(H2,12,16)(H2,13,17)(H2,14,15,18)
InChIKey
MMZRAMCNUYJSPS-UHFFFAOYSA-N
Compound name
2-[(phenylcarbamothioylamino)methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06808 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07536 159.5
[M+Na]+ 287.05730 162.4
[M-H]- 263.06080 161.3
[M+NH4]+ 282.10190 173.7
[M+K]+ 303.03124 158.8
[M+H-H2O]+ 247.06534 151.5
[M+HCOO]- 309.06628 177.5
[M+CH3COO]- 323.08193 202.7
[M+Na-2H]- 285.04275 158.7
[M]+ 264.06753 154.3
[M]- 264.06863 154.3
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.