CID 384664

Nsc674709

Structural Information

Molecular Formula
C36H35N3O6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCN(CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)CC(=O)O
InChI
InChI=1S/C36H35N3O6/c40-34(41)21-39(19-17-37-35(42)44-22-32-28-13-5-1-9-24(28)25-10-2-6-14-29(25)32)20-18-38-36(43)45-23-33-30-15-7-3-11-26(30)27-12-4-8-16-31(27)33/h1-16,32-33H,17-23H2,(H,37,42)(H,38,43)(H,40,41)
InChIKey
VOAULNVCTYOJJN-UHFFFAOYSA-N
Compound name
2-[bis[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.25256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.25984 237.4
[M+Na]+ 628.24178 236.6
[M-H]- 604.24528 245.9
[M+NH4]+ 623.28638 244.5
[M+K]+ 644.21572 233.7
[M+H-H2O]+ 588.24982 227.9
[M+HCOO]- 650.25076 254.0
[M+CH3COO]- 664.26641 268.1
[M+Na-2H]- 626.22723 237.0
[M]+ 605.25201 242.9
[M]- 605.25311 242.9
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.