CID 3088568

Cgi 14600

Structural Information

Molecular Formula
C25H29NO3
SMILES
CC1=C(C2=C(N1C3=CC=CC=C3)CC(CC2=O)(C)C)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C25H29NO3/c1-15-21(23-19(28)13-25(4,5)14-20(23)29)22-17(11-24(2,3)12-18(22)27)26(15)16-9-7-6-8-10-16/h6-10,28H,11-14H2,1-5H3
InChIKey
YNMGHQWHBRPGRE-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22203 195.5
[M+Na]+ 414.20397 209.4
[M+NH4]+ 409.24857 205.8
[M+K]+ 430.17791 199.6
[M-H]- 390.20747 200.7
[M+Na-2H]- 412.18942 203.2
[M]+ 391.21420 199.4
[M]- 391.21530 199.4
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.