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]+ 357.28603 194.4
[M+Na]+ 379.26797 193.5
[M-H]- 355.27147 194.0
[M+NH4]+ 374.31257 206.3
[M+K]+ 395.24191 193.2
[M+H-H2O]+ 339.27601 185.4
[M+HCOO]- 401.27695 217.1
[M+CH3COO]- 415.29260 230.6
[M+Na-2H]- 377.25342 191.8
[M]+ 356.27820 198.1
[M]- 356.27930 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.