CID 508808

Benzamide, n-[2-[[[1-[(3,5-dinitrophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C23H24F3N5O6
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C23H24F3N5O6/c24-23(25,26)18-3-1-2-17(10-18)22(33)28-13-21(32)27-12-15-4-6-29(7-5-15)14-16-8-19(30(34)35)11-20(9-16)31(36)37/h1-3,8-11,15H,4-7,12-14H2,(H,27,32)(H,28,33)
InChIKey
DPUXSWWBKDNNGU-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(3,5-dinitrophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.16785 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.17513 211.9
[M+Na]+ 546.15707 210.1
[M-H]- 522.16057 214.4
[M+NH4]+ 541.20167 212.4
[M+K]+ 562.13101 198.0
[M+H-H2O]+ 506.16511 207.0
[M+HCOO]- 568.16605 225.9
[M+CH3COO]- 582.18170 235.1
[M+Na-2H]- 544.14252 216.1
[M]+ 523.16730 201.0
[M]- 523.16840 201.0
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.