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

4
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 188.7
[M+Na]+ 404.14684 192.4
[M-H]- 380.15034 195.2
[M+NH4]+ 399.19144 202.9
[M+K]+ 420.12078 189.6
[M+H-H2O]+ 364.15488 180.9
[M+HCOO]- 426.15582 204.0
[M+CH3COO]- 440.17147 216.5
[M+Na-2H]- 402.13229 191.5
[M]+ 381.15707 188.0
[M]- 381.15817 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