CID 135521762

Brn 4238192

Structural Information

Molecular Formula
C20H21N3OS2
SMILES
C1CCC2(CC1)N(NC(=NC3=CC=CC=C3)S2)/C=C/C(=O)C4=CC=CS4
InChI
InChI=1S/C20H21N3OS2/c24-17(18-10-7-15-25-18)11-14-23-20(12-5-2-6-13-20)26-19(22-23)21-16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,21,22)/b14-11+
InChIKey
XRJOSNMOHNKPBU-SDNWHVSQSA-N
Compound name
(E)-3-(2-phenylimino-1-thia-3,4-diazaspiro[4.5]decan-4-yl)-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1126 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11988 189.2
[M+Na]+ 406.10182 194.9
[M-H]- 382.10532 197.2
[M+NH4]+ 401.14642 204.2
[M+K]+ 422.07576 188.0
[M+H-H2O]+ 366.10986 181.9
[M+HCOO]- 428.11080 197.7
[M+CH3COO]- 442.12645 197.5
[M+Na-2H]- 404.08727 185.9
[M]+ 383.11205 184.9
[M]- 383.11315 184.9
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.