CID 135521761

Brn 4237901

Structural Information

Molecular Formula
C22H23N3OS
SMILES
C1CCC2(CC1)N(NC(=NC3=CC=CC=C3)S2)/C=C/C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3OS/c26-20(18-10-4-1-5-11-18)14-17-25-22(15-8-3-9-16-22)27-21(24-25)23-19-12-6-2-7-13-19/h1-2,4-7,10-14,17H,3,8-9,15-16H2,(H,23,24)/b17-14+
InChIKey
RVPRYQFMJGNABR-SAPNQHFASA-N
Compound name
(E)-1-phenyl-3-(2-phenylimino-1-thia-3,4-diazaspiro[4.5]decan-4-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1562 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16348 189.0
[M+Na]+ 400.14542 200.1
[M+NH4]+ 395.19002 198.2
[M+K]+ 416.11936 189.5
[M-H]- 376.14892 195.1
[M+Na-2H]- 398.13087 198.5
[M]+ 377.15565 192.7
[M]- 377.15675 192.7
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.