CID 375819

Nsc655983

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)(C)OC(=O)NCCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCC(=O)O
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-21(26)23-13-12-15-7-5-9-17-16-8-4-6-14(10-11-18(24)25)19(16)27-20(15)17/h4-9H,10-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
KLZXPQBAAPCKCE-UHFFFAOYSA-N
Compound name
3-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]dibenzofuran-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18056 193.6
[M+Na]+ 406.16250 200.2
[M-H]- 382.16600 198.5
[M+NH4]+ 401.20710 207.1
[M+K]+ 422.13644 197.8
[M+H-H2O]+ 366.17054 187.0
[M+HCOO]- 428.17148 211.7
[M+CH3COO]- 442.18713 220.3
[M+Na-2H]- 404.14795 197.2
[M]+ 383.17273 200.7
[M]- 383.17383 200.7
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

No patent data available for this compound.