CID 374523

Nsc652274

Structural Information

Molecular Formula
C23H21NO4
SMILES
COCC12CC(CC1=O)C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C23H21NO4/c1-27-13-22-12-14(11-18(22)25)19-21(22)28-24-17-10-6-5-9-16(17)20(26)23(19,24)15-7-3-2-4-8-15/h2-10,14,19,21H,11-13H2,1H3
InChIKey
FLDNSLQVGNOXOV-UHFFFAOYSA-N
Compound name
14-(methoxymethyl)-3-phenyl-12-oxa-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9-triene-4,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 187.0
[M+Na]+ 398.13628 197.2
[M-H]- 374.13978 196.6
[M+NH4]+ 393.18088 211.5
[M+K]+ 414.11022 192.0
[M+H-H2O]+ 358.14432 182.5
[M+HCOO]- 420.14526 203.0
[M+CH3COO]- 434.16091 198.5
[M+Na-2H]- 396.12173 185.6
[M]+ 375.14651 191.7
[M]- 375.14761 191.7
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.