CID 3050169

Benzamide, 2-((2-(4-(1-oxopropoxy)-4-phenyl-1-piperidinyl)ethyl)(phenylmethyl)amino)-

Structural Information

Molecular Formula
C30H35N3O3
SMILES
CCC(=O)OC1(CCN(CC1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)N)C4=CC=CC=C4
InChI
InChI=1S/C30H35N3O3/c1-2-28(34)36-30(25-13-7-4-8-14-25)17-19-32(20-18-30)21-22-33(23-24-11-5-3-6-12-24)27-16-10-9-15-26(27)29(31)35/h3-16H,2,17-23H2,1H3,(H2,31,35)
InChIKey
IQJYIWRODDIKDB-UHFFFAOYSA-N
Compound name
[1-[2-(N-benzyl-2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.26785 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.27513 221.3
[M+Na]+ 508.25707 220.8
[M-H]- 484.26057 230.7
[M+NH4]+ 503.30167 226.8
[M+K]+ 524.23101 216.4
[M+H-H2O]+ 468.26511 207.8
[M+HCOO]- 530.26605 237.6
[M+CH3COO]- 544.28170 245.1
[M+Na-2H]- 506.24252 219.8
[M]+ 485.26730 217.8
[M]- 485.26840 217.8
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

patents stripe