CID 9820034

N-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide

Structural Information

Molecular Formula
C21H29N3O2
SMILES
CCN(C(C)C)C(=O)C1=CC(=CC(=C1)C)OC[C@H](C)NC2=CC=NC=C2
InChI
InChI=1S/C21H29N3O2/c1-6-24(15(2)3)21(25)18-11-16(4)12-20(13-18)26-14-17(5)23-19-7-9-22-10-8-19/h7-13,15,17H,6,14H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKey
JMPSZYHYDMQFEO-KRWDZBQOSA-N
Compound name
N-ethyl-3-methyl-N-propan-2-yl-5-[(2S)-2-(pyridin-4-ylamino)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

355.22598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 190.0
[M+Na]+ 378.21520 193.0
[M-H]- 354.21870 195.9
[M+NH4]+ 373.25980 201.1
[M+K]+ 394.18914 190.9
[M+H-H2O]+ 338.22324 179.8
[M+HCOO]- 400.22418 210.8
[M+CH3COO]- 414.23983 226.3
[M+Na-2H]- 376.20065 189.5
[M]+ 355.22543 192.8
[M]- 355.22653 192.8
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.