CID 383818

Nsc672434

Structural Information

Molecular Formula
C33H43N5O7
SMILES
CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C33H43N5O7/c1-33(2,3)45-31(42)35-17-9-8-15-26(30(41)38-18-10-16-27(38)29(40)36-19-28(34)39)37-32(43)44-20-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-7,11-14,25-27H,8-10,15-20H2,1-3H3,(H2,34,39)(H,35,42)(H,36,40)(H,37,43)
InChIKey
RNVVFPQNNZBDMQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.3162 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.32348 244.4
[M+Na]+ 644.30542 239.6
[M-H]- 620.30892 249.0
[M+NH4]+ 639.35002 247.5
[M+K]+ 660.27936 240.0
[M+H-H2O]+ 604.31346 236.3
[M+HCOO]- 666.31440 257.0
[M+CH3COO]- 680.33005 272.6
[M+Na-2H]- 642.29087 239.7
[M]+ 621.31565 245.9
[M]- 621.31675 245.9
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.