CID 3067605

Naphthalene, 2-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-6-methyl-

Structural Information

Molecular Formula
C28H28O2
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)C(C)(C)COCC3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C28H28O2/c1-21-12-13-24-18-25(15-14-23(24)16-21)28(2,3)20-29-19-22-8-7-11-27(17-22)30-26-9-5-4-6-10-26/h4-18H,19-20H2,1-3H3
InChIKey
KDLQRFWJFBUQAN-UHFFFAOYSA-N
Compound name
2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.20892 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21620 201.9
[M+Na]+ 419.19814 207.7
[M-H]- 395.20164 211.5
[M+NH4]+ 414.24274 213.2
[M+K]+ 435.17208 201.3
[M+H-H2O]+ 379.20618 191.0
[M+HCOO]- 441.20712 220.7
[M+CH3COO]- 455.22277 225.2
[M+Na-2H]- 417.18359 206.0
[M]+ 396.20837 204.6
[M]- 396.20947 204.6
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

patents stripe