CID 220350

5335-62-6

Structural Information

Molecular Formula
C26H34O
SMILES
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(C4=CC=CC=C4)O)C
InChI
InChI=1S/C26H34O/c1-18(2)20-11-13-22-21(17-20)12-14-23-25(22,3)15-8-16-26(23,4)24(27)19-9-6-5-7-10-19/h5-7,9-11,13,17-18,23-24,27H,8,12,14-16H2,1-4H3
InChIKey
IUZXDEIEFTZAQM-UHFFFAOYSA-N
Compound name
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.26096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26824 193.9
[M+Na]+ 385.25018 197.6
[M-H]- 361.25368 199.2
[M+NH4]+ 380.29478 211.2
[M+K]+ 401.22412 191.6
[M+H-H2O]+ 345.25822 184.8
[M+HCOO]- 407.25916 204.2
[M+CH3COO]- 421.27481 201.6
[M+Na-2H]- 383.23563 194.1
[M]+ 362.26041 188.5
[M]- 362.26151 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.