CID 106303

67990-08-3

Structural Information

Molecular Formula
C14H21N3OS
SMILES
CCN1CCCC1=CC=C2C(=O)N(C(=S)N2CC)C
InChI
InChI=1S/C14H21N3OS/c1-4-16-10-6-7-11(16)8-9-12-13(18)15(3)14(19)17(12)5-2/h8-9H,4-7,10H2,1-3H3
InChIKey
CIVNXUBWFVBYKC-UHFFFAOYSA-N
Compound name
1-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14053 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14781 169.4
[M+Na]+ 302.12975 178.3
[M-H]- 278.13325 172.5
[M+NH4]+ 297.17435 186.5
[M+K]+ 318.10369 173.2
[M+H-H2O]+ 262.13779 162.6
[M+HCOO]- 324.13873 181.7
[M+CH3COO]- 338.15438 198.8
[M+Na-2H]- 300.11520 161.5
[M]+ 279.13998 169.0
[M]- 279.14108 169.0
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.