CID 56777269

166881-43-2

Structural Information

Molecular Formula
C27H27NO7
SMILES
COC1=CC(=C(C(=C1)OC)CN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC
InChI
InChI=1S/C27H27NO7/c1-32-17-12-24(33-2)22(25(13-17)34-3)14-28(15-26(29)30)27(31)35-16-23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-13,23H,14-16H2,1-3H3,(H,29,30)
InChIKey
QRIVZMBKOCDKBU-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

477.17874 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18602 213.8
[M+Na]+ 500.16796 218.5
[M-H]- 476.17146 222.0
[M+NH4]+ 495.21256 224.3
[M+K]+ 516.14190 216.9
[M+H-H2O]+ 460.17600 204.5
[M+HCOO]- 522.17694 232.9
[M+CH3COO]- 536.19259 241.4
[M+Na-2H]- 498.15341 212.8
[M]+ 477.17819 223.0
[M]- 477.17929 223.0
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