CID 216218

Fepromide

Structural Information

Molecular Formula
C23H30N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(CN2CCCC2)COC3=CC=CC=C3
InChI
InChI=1S/C23H30N2O5/c1-27-20-13-17(14-21(28-2)22(20)29-3)23(26)24-18(15-25-11-7-8-12-25)16-30-19-9-5-4-6-10-19/h4-6,9-10,13-14,18H,7-8,11-12,15-16H2,1-3H3,(H,24,26)
InChIKey
QFSBWEZVTZCUPC-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

414.21548 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.222756 199.7
[M+Na]+ 437.204698 202.0
[M-H]- 413.208204 207.1
[M+NH4]+ 432.249303 209.3
[M+K]+ 453.178638 199.8
[M+H-H2O]+ 397.212740 189.2
[M+HCOO]- 459.213681 219.0
[M+CH3COO]- 473.229331 226.9
[M+Na-2H]- 435.190146 197.4
[M]+ 414.21493142 203.1
[M]- 414.21602858 203.1
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