CID 5480733

7441-55-6

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C/C(=N\NC(=S)N)/C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C11H14N4OS/c1-7(14-15-11(12)17)9-3-5-10(6-4-9)13-8(2)16/h3-6H,1-2H3,(H,13,16)(H3,12,15,17)/b14-7+
InChIKey
IDNGSDKUQOSYRL-VGOFMYFVSA-N
Compound name
N-[4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

250.08884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 157.0
[M+Na]+ 273.07806 161.5
[M-H]- 249.08156 161.2
[M+NH4]+ 268.12266 173.5
[M+K]+ 289.05200 158.4
[M+H-H2O]+ 233.08610 149.0
[M+HCOO]- 295.08704 177.7
[M+CH3COO]- 309.10269 204.4
[M+Na-2H]- 271.06351 157.9
[M]+ 250.08829 154.9
[M]- 250.08939 154.9
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.