CID 3084746

Nitrilotriacetic acid tris(n-butylamide)

Structural Information

Molecular Formula
C18H36N4O3
SMILES
CCCCNC(=O)CN(CC(=O)NCCCC)CC(=O)NCCCC
InChI
InChI=1S/C18H36N4O3/c1-4-7-10-19-16(23)13-22(14-17(24)20-11-8-5-2)15-18(25)21-12-9-6-3/h4-15H2,1-3H3,(H,19,23)(H,20,24)(H,21,25)
InChIKey
NYYGHZRYBYCBTJ-UHFFFAOYSA-N
Compound name
2-[bis[2-(butylamino)-2-oxoethyl]amino]-N-butylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.27875 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.286026 194.4
[M+Na]+ 379.267968 193.5
[M-H]- 355.271474 194.0
[M+NH4]+ 374.312573 206.3
[M+K]+ 395.241908 193.2
[M+H-H2O]+ 339.276010 185.4
[M+HCOO]- 401.276951 217.1
[M+CH3COO]- 415.292601 230.6
[M+Na-2H]- 377.253416 191.8
[M]+ 356.27820142 198.1
[M]- 356.27929858 198.1
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.