CID 49831842

N-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-valylglycine

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H24N2O5/c1-13(2)20(21(27)23-11-19(25)26)24-22(28)29-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,20H,11-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t20-/m0/s1
InChIKey
RWMPPRIMKZLKTB-FQEVSTJZSA-N
Compound name
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

396.16852 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.175796 194.1
[M+Na]+ 419.157738 196.5
[M-H]- 395.161244 197.2
[M+NH4]+ 414.202343 206.9
[M+K]+ 435.131678 194.2
[M+H-H2O]+ 379.165780 186.9
[M+HCOO]- 441.166721 211.4
[M+CH3COO]- 455.182371 226.1
[M+Na-2H]- 417.143186 193.1
[M]+ 396.16797142 196.0
[M]- 396.16906858 196.0
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