CID 3064505

Iem-295

Structural Information

Molecular Formula
C23H38N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)C[N+]2(CCCCC2)C)NC(=O)C[N+]3(CCCCC3)C
InChI
InChI=1S/C23H36N4O2/c1-19-10-11-20(24-22(28)17-26(2)12-6-4-7-13-26)16-21(19)25-23(29)18-27(3)14-8-5-9-15-27/h10-11,16H,4-9,12-15,17-18H2,1-3H3/p+2
InChIKey
SDRRFSUAKIWESJ-UHFFFAOYSA-P
Compound name
N-[4-methyl-3-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]phenyl]-2-(1-methylpiperidin-1-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.29947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.30675 197.7
[M+Na]+ 425.28869 196.8
[M-H]- 401.29219 202.3
[M+NH4]+ 420.33329 207.6
[M+K]+ 441.26263 181.8
[M+H-H2O]+ 385.29673 192.4
[M+HCOO]- 447.29767 208.7
[M+CH3COO]- 461.31332 212.5
[M+Na-2H]- 423.27414 202.1
[M]+ 402.29892 186.6
[M]- 402.30002 186.6
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.