CID 3056226

N-(3-((4-fluorophenyl)methylamino)-2-hydroxypropyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C20H25FN2O5
SMILES
CN(CC(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C20H25FN2O5/c1-23(15-7-5-14(21)6-8-15)12-16(24)11-22-20(25)13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10,16,24H,11-12H2,1-4H3,(H,22,25)
InChIKey
NLNDEEBUKYHUOT-UHFFFAOYSA-N
Compound name
N-[3-(4-fluoro-N-methylanilino)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.17474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18202 192.6
[M+Na]+ 415.16396 197.2
[M-H]- 391.16746 197.9
[M+NH4]+ 410.20856 203.1
[M+K]+ 431.13790 196.1
[M+H-H2O]+ 375.17200 182.3
[M+HCOO]- 437.17294 214.0
[M+CH3COO]- 451.18859 229.2
[M+Na-2H]- 413.14941 191.4
[M]+ 392.17419 197.3
[M]- 392.17529 197.3
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