CID 86577578

N-[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]dodecanamide

Structural Information

Molecular Formula
C22H45N5O3
SMILES
CCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C22H45N5O3/c1-2-3-4-5-6-7-8-9-10-15-20(28)26-19(14-12-17-24)22(30)27-18(21(25)29)13-11-16-23/h18-19H,2-17,23-24H2,1H3,(H2,25,29)(H,26,28)(H,27,30)
InChIKey
ZASDDGFRTSEFEY-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.35223 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.35951 213.1
[M+Na]+ 450.34145 236.3
[M-H]- 426.34495 225.1
[M+NH4]+ 445.38605 220.4
[M+K]+ 466.31539 207.3
[M+H-H2O]+ 410.34949 203.2
[M+HCOO]- 472.35043 214.3
[M+CH3COO]- 486.36608 245.5
[M+Na-2H]- 448.32690 204.4
[M]+ 427.35168 207.9
[M]- 427.35278 207.9
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.