CID 76330

2985-59-3

Structural Information

Molecular Formula
C25H34O3
SMILES
CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3
InChIKey
ARVUDIQYNJVQIW-UHFFFAOYSA-N
Compound name
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12251
Patents

382.2508 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25808 199.5
[M+Na]+ 405.24002 211.6
[M+NH4]+ 400.28462 205.8
[M+K]+ 421.21396 202.2
[M-H]- 381.24352 202.8
[M+Na-2H]- 403.22547 205.3
[M]+ 382.25025 202.1
[M]- 382.25135 202.1
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

patents stripe