CID 508774

Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-3-(dimethylamino)-

Structural Information

Molecular Formula
C25H33ClN4O2
SMILES
CC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)N(C)C
InChI
InChI=1S/C25H33ClN4O2/c1-18(28-25(32)21-5-4-6-23(15-21)29(2)3)24(31)27-16-19-11-13-30(14-12-19)17-20-7-9-22(26)10-8-20/h4-10,15,18-19H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKey
QPEONVMNBUWRPN-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3-(dimethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.22922 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.23650 212.8
[M+Na]+ 479.21844 213.3
[M-H]- 455.22194 220.4
[M+NH4]+ 474.26304 219.7
[M+K]+ 495.19238 208.6
[M+H-H2O]+ 439.22648 202.0
[M+HCOO]- 501.22742 226.0
[M+CH3COO]- 515.24307 243.6
[M+Na-2H]- 477.20389 209.6
[M]+ 456.22867 211.7
[M]- 456.22977 211.7
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.