CID 9579127

Methanesulfonamide, 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
C28H39BrN6O4S
SMILES
CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(N=C(N=C3C)NS(=O)(=O)C)C)C)\C4=CC=C(C=C4)Br
InChI
InChI=1S/C28H39BrN6O4S/c1-6-39-32-25(21-7-9-23(29)10-8-21)22-11-15-35(16-12-22)28(4)13-17-34(18-14-28)26(36)24-19(2)30-27(31-20(24)3)33-40(5,37)38/h7-10,22H,6,11-18H2,1-5H3,(H,30,31,33)/b32-25+
InChIKey
KXNXHVHVBIUIPC-WGPBWIAQSA-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]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

634.19366 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.20094 224.9
[M+Na]+ 657.18288 228.9
[M-H]- 633.18638 233.5
[M+NH4]+ 652.22748 227.0
[M+K]+ 673.15682 217.1
[M+H-H2O]+ 617.19092 220.0
[M+HCOO]- 679.19186 228.5
[M+CH3COO]- 693.20751 261.7
[M+Na-2H]- 655.16833 225.4
[M]+ 634.19311 242.1
[M]- 634.19421 242.1
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.