CID 17040199

2-[4-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)oxan-4-yl]acetic acid

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1COCCC1(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-20(25)13-22(9-11-27-12-10-22)23-21(26)28-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,23,26)(H,24,25)
InChIKey
NNMNKVJISWGUDI-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 188.7
[M+Na]+ 404.146838 192.4
[M-H]- 380.150344 195.2
[M+NH4]+ 399.191443 202.9
[M+K]+ 420.120778 189.6
[M+H-H2O]+ 364.154880 180.9
[M+HCOO]- 426.155821 204.0
[M+CH3COO]- 440.171471 216.5
[M+Na-2H]- 402.132286 191.5
[M]+ 381.15707142 188.0
[M]- 381.15816858 188.0
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