CID 146155015

2416245-84-4

Structural Information

Molecular Formula
C20H37N3O6
SMILES
CC(C)(C)OC(=O)NC(=NCCCCCCCCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)22-16(23-18(27)29-20(4,5)6)21-14-12-10-8-7-9-11-13-15(24)25/h7-14H2,1-6H3,(H,24,25)(H2,21,22,23,26,27)
InChIKey
UOELBQYAKSWTML-UHFFFAOYSA-N
Compound name
9-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.26825 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.27553 205.8
[M+Na]+ 438.25747 216.2
[M+NH4]+ 433.30207 212.7
[M+K]+ 454.23141 209.1
[M-H]- 414.26097 208.5
[M+Na-2H]- 436.24292 214.5
[M]+ 415.26770 208.3
[M]- 415.26880 208.3
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.