CID 77456481

1695292-51-3

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC(C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)19(13-6-5-7-13)22-21(25)26-12-18-16-10-3-1-8-14(16)15-9-2-4-11-17(15)18/h1-4,8-11,13,18-19H,5-7,12H2,(H,22,25)(H,23,24)
InChIKey
TXLUWFPQLXODBP-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

351.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.1
[M+Na]+ 374.13628 184.1
[M-H]- 350.13978 188.1
[M+NH4]+ 369.18088 190.5
[M+K]+ 390.11022 184.0
[M+H-H2O]+ 334.14432 169.1
[M+HCOO]- 396.14526 198.4
[M+CH3COO]- 410.16091 215.9
[M+Na-2H]- 372.12173 182.1
[M]+ 351.14651 190.3
[M]- 351.14761 190.3
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