CID 3704258

N-{[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}norvaline

Structural Information

Molecular Formula
C19H21NO6
SMILES
CCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2
InChI
InChI=1S/C19H21NO6/c1-2-4-15(18(22)23)20-17(21)10-25-11-7-8-13-12-5-3-6-14(12)19(24)26-16(13)9-11/h7-9,15H,2-6,10H2,1H3,(H,20,21)(H,22,23)
InChIKey
RROWKSFDBTZTPK-UHFFFAOYSA-N
Compound name
2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1369 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14418 181.5
[M+Na]+ 382.12612 186.6
[M-H]- 358.12962 185.7
[M+NH4]+ 377.17072 195.2
[M+K]+ 398.10006 185.1
[M+H-H2O]+ 342.13416 174.9
[M+HCOO]- 404.13510 198.7
[M+CH3COO]- 418.15075 215.7
[M+Na-2H]- 380.11157 182.9
[M]+ 359.13635 185.5
[M]- 359.13745 185.5
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

No patent data available for this compound.