CID 508867

2-amino-5-iodo-n-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]-4-piperidyl]methylamino]ethyl]benzamide

Structural Information

Molecular Formula
C29H32IN5O3
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)I)N)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C29H32IN5O3/c30-23-10-11-26(31)25(16-23)29(38)33-18-27(36)32-17-20-12-14-35(15-13-20)19-21-6-8-22(9-7-21)28(37)34-24-4-2-1-3-5-24/h1-11,16,20H,12-15,17-19,31H2,(H,32,36)(H,33,38)(H,34,37)
InChIKey
BLASANMYEZJETE-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-N-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-4-yl]methylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.15497 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.16225 241.7
[M+Na]+ 648.14419 233.4
[M-H]- 624.14769 242.5
[M+NH4]+ 643.18879 238.8
[M+K]+ 664.11813 234.0
[M+H-H2O]+ 608.15223 224.8
[M+HCOO]- 670.15317 253.4
[M+CH3COO]- 684.16882 258.9
[M+Na-2H]- 646.12964 227.5
[M]+ 625.15442 232.0
[M]- 625.15552 232.0
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.