CID 3027252

Benzene, 1,2-dimethyl-4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-

Structural Information

Molecular Formula
C25H28O2
SMILES
CC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C25H28O2/c1-19-13-14-22(15-20(19)2)25(3,4)18-26-17-21-9-8-12-24(16-21)27-23-10-6-5-7-11-23/h5-16H,17-18H2,1-4H3
InChIKey
MEEUWRWLNXRPDU-UHFFFAOYSA-N
Compound name
1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

360.20892 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21620 191.2
[M+Na]+ 383.19814 197.2
[M-H]- 359.20164 200.4
[M+NH4]+ 378.24274 203.6
[M+K]+ 399.17208 192.1
[M+H-H2O]+ 343.20618 181.4
[M+HCOO]- 405.20712 211.7
[M+CH3COO]- 419.22277 218.6
[M+Na-2H]- 381.18359 194.1
[M]+ 360.20837 194.6
[M]- 360.20947 194.6
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