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 196.9
[M+Na]+ 419.20538 205.5
[M+NH4]+ 414.24998 202.1
[M+K]+ 435.17932 199.9
[M-H]- 395.20888 202.3
[M+Na-2H]- 417.19083 203.6
[M]+ 396.21561 199.1
[M]- 396.21671 199.1
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.