CID 18578

3215-85-8

Structural Information

Molecular Formula
C23H31NO3
SMILES
CC(C)(CCC(=O)C1=CC=CC=C1OC)C(C2=CC=CC=C2OC)N(C)C
InChI
InChI=1S/C23H31NO3/c1-23(2,16-15-19(25)17-11-7-9-13-20(17)26-5)22(24(3)4)18-12-8-10-14-21(18)27-6/h7-14,22H,15-16H2,1-6H3
InChIKey
FOSJLBPSXNUTKY-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1,5-bis(2-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]+ 370.23768 192.4
[M+Na]+ 392.21962 196.1
[M-H]- 368.22312 199.7
[M+NH4]+ 387.26422 204.8
[M+K]+ 408.19356 194.4
[M+H-H2O]+ 352.22766 183.5
[M+HCOO]- 414.22860 212.5
[M+CH3COO]- 428.24425 226.8
[M+Na-2H]- 390.20507 192.5
[M]+ 369.22985 197.9
[M]- 369.23095 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.