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

literature stripe

Patent stripe

patents stripe