CID 9579126

Acetamide, n-[5-[[4-[(z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-4,6-dimethyl-2-pyrimidinyl]-

Structural Information

Molecular Formula
C29H39BrN6O3
SMILES
CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(N=C(N=C3C)NC(=O)C)C)C)\C4=CC=C(C=C4)Br
InChI
InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26+
InChIKey
RVSIQKYLHDJIHM-JJNGWGCYSA-N
Compound name
N-[5-[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidine-1-carbonyl]-4,6-dimethylpyrimidin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

598.2267 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.23398 231.7
[M+Na]+ 621.21592 234.7
[M-H]- 597.21942 240.3
[M+NH4]+ 616.26052 234.4
[M+K]+ 637.18986 223.0
[M+H-H2O]+ 581.22396 224.8
[M+HCOO]- 643.22490 239.3
[M+CH3COO]- 657.24055 259.7
[M+Na-2H]- 619.20137 228.7
[M]+ 598.22615 246.1
[M]- 598.22725 246.1
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.