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

6
Patents

392.17474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.182016 192.6
[M+Na]+ 415.163958 197.2
[M-H]- 391.167464 197.9
[M+NH4]+ 410.208563 203.1
[M+K]+ 431.137898 196.1
[M+H-H2O]+ 375.172000 182.3
[M+HCOO]- 437.172941 214.0
[M+CH3COO]- 451.188591 229.2
[M+Na-2H]- 413.149406 191.4
[M]+ 392.17419142 197.3
[M]- 392.17528858 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