CID 51885235

1198791-65-9

Structural Information

Molecular Formula
C21H19NO4
SMILES
C[C@@](CC#C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO4/c1-3-12-21(2,19(23)24)22-20(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h1,4-11,18H,12-13H2,2H3,(H,22,25)(H,23,24)/t21-/m1/s1
InChIKey
ZXOKSWZUJXKQCQ-OAQYLSRUSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpent-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

349.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 184.7
[M+Na]+ 372.12062 194.2
[M+NH4]+ 367.16522 187.4
[M+K]+ 388.09456 187.0
[M-H]- 348.12412 177.2
[M+Na-2H]- 370.10607 184.2
[M]+ 349.13085 182.9
[M]- 349.13195 182.9
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

patents stripe