CID 108253

54613-99-9

Structural Information

Molecular Formula
C19H27ClN2O6
SMILES
CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)O
InChI
InChI=1S/C19H27ClN2O6/c1-19(2,3)28-18(26)22-15(16(23)24)10-6-7-11-21-17(25)27-12-13-8-4-5-9-14(13)20/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKey
ATUMDPHEFWGCJF-UHFFFAOYSA-N
Compound name
6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

382
Patents

414.15576 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16304 196.0
[M+Na]+ 437.14498 201.4
[M+NH4]+ 432.18958 198.3
[M+K]+ 453.11892 199.1
[M-H]- 413.14848 193.6
[M+Na-2H]- 435.13043 196.4
[M]+ 414.15521 195.6
[M]- 414.15631 195.6
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

patents stripe