CID 32198

Mepramidil

Structural Information

Molecular Formula
C28H33NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCNCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C28H33NO5/c1-31-25-19-23(20-26(32-2)27(25)33-3)28(30)34-18-10-16-29-17-15-24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,19-20,24,29H,10,15-18H2,1-3H3
InChIKey
IFYJCDHOWBSELI-UHFFFAOYSA-N
Compound name
3-(3,3-diphenylpropylamino)propyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

69
Patents

463.23587 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.243146 216.4
[M+Na]+ 486.225088 218.7
[M-H]- 462.228594 224.6
[M+NH4]+ 481.269693 223.3
[M+K]+ 502.199028 215.2
[M+H-H2O]+ 446.233130 204.5
[M+HCOO]- 508.234071 237.1
[M+CH3COO]- 522.249721 238.3
[M+Na-2H]- 484.210536 215.4
[M]+ 463.23532142 222.7
[M]- 463.23641858 222.7
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