CID 18577

3215-84-7

Structural Information

Molecular Formula
C23H31NO3
SMILES
CC(C)(CCC(=O)C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)N(C)C
InChI
InChI=1S/C23H31NO3/c1-23(2,16-15-21(25)17-7-11-19(26-5)12-8-17)22(24(3)4)18-9-13-20(27-6)14-10-18/h7-14,22H,15-16H2,1-6H3
InChIKey
CUVQLAOFVFKROR-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1,5-bis(4-methoxyphenyl)-4,4-dimethylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 192.4
[M+Na]+ 392.219618 196.1
[M-H]- 368.223124 199.7
[M+NH4]+ 387.264223 204.8
[M+K]+ 408.193558 194.4
[M+H-H2O]+ 352.227660 183.5
[M+HCOO]- 414.228601 212.5
[M+CH3COO]- 428.244251 226.8
[M+Na-2H]- 390.205066 192.5
[M]+ 369.22985142 197.9
[M]- 369.23094858 197.9
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

No patent data available for this compound.