CID 508797

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

Structural Information

Molecular Formula
C24H29ClN4O5
SMILES
COCC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C24H29ClN4O5/c1-34-16-22(27-23(30)19-3-2-4-21(13-19)29(32)33)24(31)26-14-17-9-11-28(12-10-17)15-18-5-7-20(25)8-6-18/h2-8,13,17,22H,9-12,14-16H2,1H3,(H,26,31)(H,27,30)
InChIKey
FVPQCRQRPHSAJE-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.18265 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18993 214.0
[M+Na]+ 511.17187 212.7
[M-H]- 487.17537 219.9
[M+NH4]+ 506.21647 217.7
[M+K]+ 527.14581 204.4
[M+H-H2O]+ 471.17991 207.7
[M+HCOO]- 533.18085 226.9
[M+CH3COO]- 547.19650 235.3
[M+Na-2H]- 509.15732 213.9
[M]+ 488.18210 211.7
[M]- 488.18320 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.