CID 1564879

172984-42-8

Structural Information

Molecular Formula
C30H28N2OS
SMILES
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2OS/c33-28-26-27(25-17-9-8-14-23(25)20-30(26)18-10-3-11-19-30)31-29(32(28)24-15-6-2-7-16-24)34-21-22-12-4-1-5-13-22/h1-2,4-9,12-17H,3,10-11,18-21H2
InChIKey
WVQULTGKQZUFDC-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.19223 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19951 211.4
[M+Na]+ 487.18145 230.3
[M+NH4]+ 482.22605 223.1
[M+K]+ 503.15539 213.7
[M-H]- 463.18495 221.3
[M+Na-2H]- 485.16690 224.0
[M]+ 464.19168 218.0
[M]- 464.19278 218.0
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.