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 176.8
[M+Na]+ 347.10022 186.9
[M-H]- 323.10372 185.1
[M+NH4]+ 342.14482 184.6
[M+K]+ 363.07416 187.1
[M+H-H2O]+ 307.10826 168.4
[M+HCOO]- 369.10920 192.0
[M+CH3COO]- 383.12485 186.8
[M+Na-2H]- 345.08567 181.2
[M]+ 324.11045 178.0
[M]- 324.11155 178.0
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.