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 209.9
[M+Na]+ 438.25747 222.1
[M-H]- 414.26097 218.2
[M+NH4]+ 433.30207 217.9
[M+K]+ 454.23141 216.0
[M+H-H2O]+ 398.26551 207.4
[M+HCOO]- 460.26645 215.5
[M+CH3COO]- 474.28210 231.1
[M+Na-2H]- 436.24292 202.2
[M]+ 415.26770 206.9
[M]- 415.26880 206.9
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.