CID 382352

Nsc669821

Structural Information

Molecular Formula
C33H44N2O7
SMILES
CC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C33H44N2O7/c1-20(2)28(29(37)34-26(30(38)42-33(6,7)8)17-18-27(36)41-32(3,4)5)35-31(39)40-19-25-23-15-11-9-13-21(23)22-14-10-12-16-24(22)25/h9-16,20,25-26,28H,17-19H2,1-8H3,(H,34,37)(H,35,39)
InChIKey
DMYYOGXNFYMOMY-UHFFFAOYSA-N
Compound name
ditert-butyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.3149 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.32218 243.2
[M+Na]+ 603.30412 240.9
[M-H]- 579.30762 246.1
[M+NH4]+ 598.34872 249.0
[M+K]+ 619.27806 241.9
[M+H-H2O]+ 563.31216 236.4
[M+HCOO]- 625.31310 253.5
[M+CH3COO]- 639.32875 263.2
[M+Na-2H]- 601.28957 239.2
[M]+ 580.31435 250.2
[M]- 580.31545 250.2
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.