CID 58148

101015-22-9

Structural Information

Molecular Formula
C21H38N4O2
SMILES
CC[N+](C)(CC)CC(=O)NC1=CC(=C(C=C1)C)NC(=O)C[N+](C)(CC)CC
InChI
InChI=1S/C21H36N4O2/c1-8-24(6,9-2)15-20(26)22-18-13-12-17(5)19(14-18)23-21(27)16-25(7,10-3)11-4/h12-14H,8-11,15-16H2,1-7H3/p+2
InChIKey
MFBCDIIZMCJCNE-UHFFFAOYSA-P
Compound name
[2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-4-methylanilino]-2-oxoethyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.29947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.30675 220.6
[M+Na]+ 401.28869 225.9
[M+NH4]+ 396.33329 227.7
[M+K]+ 417.26263 230.5
[M-H]- 377.29219 198.1
[M+Na-2H]- 399.27414 198.1
[M]+ 378.29892 221.4
[M]- 378.30002 221.4
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.