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

118
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 194.3
[M+Na]+ 372.12062 203.0
[M-H]- 348.12412 195.8
[M+NH4]+ 367.16522 208.0
[M+K]+ 388.09456 194.8
[M+H-H2O]+ 332.12866 181.9
[M+HCOO]- 394.12960 206.6
[M+CH3COO]- 408.14525 217.7
[M+Na-2H]- 370.10607 195.1
[M]+ 349.13085 190.5
[M]- 349.13195 190.5
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

patents stripe