CID 1591484

172984-41-7

Structural Information

Molecular Formula
C26H26N2OS
SMILES
C=CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI
InChI=1S/C26H26N2OS/c1-2-17-30-25-27-23-21-14-8-7-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-5-3-6-13-20/h2-3,5-8,11-14H,1,4,9-10,15-18H2
InChIKey
JWRDNNLSVSQRJE-UHFFFAOYSA-N
Compound name
3-phenyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17657 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18385 199.4
[M+Na]+ 437.16579 216.3
[M+NH4]+ 432.21039 210.5
[M+K]+ 453.13973 200.9
[M-H]- 413.16929 206.5
[M+Na-2H]- 435.15124 209.2
[M]+ 414.17602 204.8
[M]- 414.17712 204.8
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.