CID 2605

Cd564

Structural Information

Molecular Formula
C26H26O3
SMILES
CC1(CCC(C2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)(C)C)C
InChI
InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
InChIKey
RWYREGSYPCNZTL-UHFFFAOYSA-N
Compound name
6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

47
Patents

386.1882 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19548 194.7
[M+Na]+ 409.17742 202.5
[M-H]- 385.18092 201.6
[M+NH4]+ 404.22202 211.4
[M+K]+ 425.15136 196.9
[M+H-H2O]+ 369.18546 185.9
[M+HCOO]- 431.18640 208.5
[M+CH3COO]- 445.20205 223.1
[M+Na-2H]- 407.16287 196.3
[M]+ 386.18765 194.8
[M]- 386.18875 194.8
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