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 188.8
[M+Na]+ 401.28869 190.7
[M-H]- 377.29219 194.3
[M+NH4]+ 396.33329 201.0
[M+K]+ 417.26263 178.4
[M+H-H2O]+ 361.29673 186.4
[M+HCOO]- 423.29767 210.7
[M+CH3COO]- 437.31332 223.6
[M+Na-2H]- 399.27414 196.7
[M]+ 378.29892 189.7
[M]- 378.30002 189.7
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.