CID 3063238

Iem-270

Structural Information

Molecular Formula
C22H36N4O2
SMILES
C[N+]1(CCCCC1)CC(=O)NC2=CC(=CC=C2)NC(=O)C[N+]3(CCCCC3)C
InChI
InChI=1S/C22H34N4O2/c1-25(12-5-3-6-13-25)17-21(27)23-19-10-9-11-20(16-19)24-22(28)18-26(2)14-7-4-8-15-26/h9-11,16H,3-8,12-15,17-18H2,1-2H3/p+2
InChIKey
DBUOCHNNHJTMAW-UHFFFAOYSA-P
Compound name
2-(1-methylpiperidin-1-ium-1-yl)-N-[3-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.29108 193.9
[M+Na]+ 411.27302 192.5
[M-H]- 387.27652 198.3
[M+NH4]+ 406.31762 204.1
[M+K]+ 427.24696 177.6
[M+H-H2O]+ 371.28106 188.4
[M+HCOO]- 433.28200 205.2
[M+CH3COO]- 447.29765 208.5
[M+Na-2H]- 409.25847 199.4
[M]+ 388.28325 182.1
[M]- 388.28435 182.1
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.