CID 508970

(2s)-n-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methyl]-2-(1-naphthylcarbamoylamino)propanamide

Structural Information

Molecular Formula
C27H30Cl2N4O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H30Cl2N4O2/c1-18(31-27(35)32-25-8-4-6-21-5-2-3-7-22(21)25)26(34)30-16-19-11-13-33(14-12-19)17-20-9-10-23(28)24(29)15-20/h2-10,15,18-19H,11-14,16-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-/m0/s1
InChIKey
NGBKGCFFPNXKMC-SFHVURJKSA-N
Compound name
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.17456 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.18184 220.5
[M+Na]+ 535.16378 222.7
[M-H]- 511.16728 226.8
[M+NH4]+ 530.20838 226.2
[M+K]+ 551.13772 215.4
[M+H-H2O]+ 495.17182 210.3
[M+HCOO]- 557.17276 227.2
[M+CH3COO]- 571.18841 248.2
[M+Na-2H]- 533.14923 219.1
[M]+ 512.17401 220.0
[M]- 512.17511 220.0
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.