CID 98197

55592-85-3

Structural Information

Molecular Formula
C22H26N2O6
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)
InChIKey
BLZXFNUZFTZCFD-UHFFFAOYSA-N
Compound name
2,6-bis(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

393
Patents

414.17908 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 199.8
[M+Na]+ 437.16830 206.6
[M+NH4]+ 432.21290 202.7
[M+K]+ 453.14224 202.5
[M-H]- 413.17180 200.8
[M+Na-2H]- 435.15375 203.7
[M]+ 414.17853 200.3
[M]- 414.17963 200.3
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

patents stripe