CID 42498

57645-40-6

Structural Information

Molecular Formula
C22H28N4O3
SMILES
CNC(=O)NC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3CCNCC3)OC
InChI
InChI=1S/C22H28N4O3/c1-23-22(28)25-17-8-9-19(20(14-17)29-2)21(27)26(18-10-12-24-13-11-18)15-16-6-4-3-5-7-16/h3-9,14,18,24H,10-13,15H2,1-2H3,(H2,23,25,28)
InChIKey
WMHDSTAUFSJKJR-UHFFFAOYSA-N
Compound name
N-benzyl-2-methoxy-4-(methylcarbamoylamino)-N-piperidin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.21616 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.223436 194.4
[M+Na]+ 419.205378 194.3
[M-H]- 395.208884 201.0
[M+NH4]+ 414.249983 201.9
[M+K]+ 435.179318 191.1
[M+H-H2O]+ 379.213420 183.2
[M+HCOO]- 441.214361 212.8
[M+CH3COO]- 455.230011 228.7
[M+Na-2H]- 417.190826 195.0
[M]+ 396.21561142 189.4
[M]- 396.21670858 189.4
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.