CID 3043563

Brn 1268223

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC1=CC=C(C=C1)N(C)C(=O)C2=CC=CC=C2NC(=O)CN3CCCCC3
InChI
InChI=1S/C22H27N3O2/c1-17-10-12-18(13-11-17)24(2)22(27)19-8-4-5-9-20(19)23-21(26)16-25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,26)
InChIKey
DKCKVXFDPVPQTO-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methylphenyl)-2-[(2-piperidin-1-ylacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.217606 189.5
[M+Na]+ 388.199548 190.9
[M-H]- 364.203054 197.5
[M+NH4]+ 383.244153 199.4
[M+K]+ 404.173488 187.4
[M+H-H2O]+ 348.207590 178.4
[M+HCOO]- 410.208531 208.1
[M+CH3COO]- 424.224181 224.1
[M+Na-2H]- 386.184996 189.5
[M]+ 365.20978142 185.5
[M]- 365.21087858 185.5
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.