CID 102515013

(-)-4'-methoxycyclopenine

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H16N2O4/c1-20-16(21)13-5-3-4-6-14(13)19-17(22)18(20)15(24-18)11-7-9-12(23-2)10-8-11/h3-10,15H,1-2H3,(H,19,22)
InChIKey
SWIRFBNCYVYLDV-UHFFFAOYSA-N
Compound name
3'-(4-methoxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

324.111 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 178.7
[M+Na]+ 347.10022 192.7
[M+NH4]+ 342.14482 186.6
[M+K]+ 363.07416 187.2
[M-H]- 323.10372 189.1
[M+Na-2H]- 345.08567 187.1
[M]+ 324.11045 185.0
[M]- 324.11155 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.