CID 155821822

1822489-66-6

Structural Information

Molecular Formula
C30H38N2O6
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C30H38N2O6/c1-30(2,3)38-28(35)31-17-20-14-12-19(13-15-20)16-26(27(33)34)32-29(36)37-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-11,19-20,25-26H,12-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)
InChIKey
OGPLPVWCGPLLQQ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.273 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.28028 225.0
[M+Na]+ 545.26222 223.1
[M-H]- 521.26572 229.4
[M+NH4]+ 540.30682 232.1
[M+K]+ 561.23616 220.9
[M+H-H2O]+ 505.27026 216.8
[M+HCOO]- 567.27120 236.0
[M+CH3COO]- 581.28685 248.6
[M+Na-2H]- 543.24767 222.2
[M]+ 522.27245 224.5
[M]- 522.27355 224.5
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.