CID 471894

Fmoc-tic-gser-fmoc

Structural Information

Molecular Formula
C42H37N3O6
SMILES
C1C(N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)NC(CO)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI
InChI=1S/C42H37N3O6/c46-23-39(44-41(48)50-24-36-32-17-7-3-13-28(32)29-14-4-8-18-33(29)36)43-40(47)38-21-26-11-1-2-12-27(26)22-45(38)42(49)51-25-37-34-19-9-5-15-30(34)31-16-6-10-20-35(31)37/h1-20,36-39,46H,21-25H2,(H,43,47)(H,44,48)
InChIKey
PDSCZWDYPKBFJW-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl 3-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxyethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

679.26825 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.27553 245.2
[M+Na]+ 702.25747 243.1
[M-H]- 678.26097 254.3
[M+NH4]+ 697.30207 247.5
[M+K]+ 718.23141 239.1
[M+H-H2O]+ 662.26551 233.9
[M+HCOO]- 724.26645 253.3
[M+CH3COO]- 738.28210 247.1
[M+Na-2H]- 700.24292 242.4
[M]+ 679.26770 245.5
[M]- 679.26880 245.5
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.