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]+ 397.22344 194.4
[M+Na]+ 419.20538 194.3
[M-H]- 395.20888 201.0
[M+NH4]+ 414.24998 201.9
[M+K]+ 435.17932 191.1
[M+H-H2O]+ 379.21342 183.2
[M+HCOO]- 441.21436 212.8
[M+CH3COO]- 455.23001 228.7
[M+Na-2H]- 417.19083 195.0
[M]+ 396.21561 189.4
[M]- 396.21671 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.