CID 9588262

73696-65-8

Structural Information

Molecular Formula
C7H13N3OS
SMILES
CCNC(=O)/N=C/1\N(CCS1)C
InChI
InChI=1S/C7H13N3OS/c1-3-8-6(11)9-7-10(2)4-5-12-7/h3-5H2,1-2H3,(H,8,11)/b9-7+
InChIKey
MIDJYCDZEYLUAF-VQHVLOKHSA-N
Compound name
(3E)-1-ethyl-3-(3-methyl-1,3-thiazolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07793 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08521 141.1
[M+Na]+ 210.06715 147.6
[M-H]- 186.07065 144.7
[M+NH4]+ 205.11175 162.1
[M+K]+ 226.04109 146.4
[M+H-H2O]+ 170.07519 134.3
[M+HCOO]- 232.07613 160.6
[M+CH3COO]- 246.09178 185.1
[M+Na-2H]- 208.05260 142.2
[M]+ 187.07738 140.8
[M]- 187.07848 140.8
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.