CID 383922

Nsc672878

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN1CCC2=CC(=C(C=C2C(O1)C(=C)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C20H23NO3/c1-14(15-8-6-5-7-9-15)20-17-13-19(23-4)18(22-3)12-16(17)10-11-21(2)24-20/h5-9,12-13,20H,1,10-11H2,2-4H3
InChIKey
XIPDQXDTQNIVFS-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-3-methyl-1-(1-phenylethenyl)-4,5-dihydro-1H-2,3-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 175.4
[M+Na]+ 348.15702 181.1
[M-H]- 324.16052 183.0
[M+NH4]+ 343.20162 187.2
[M+K]+ 364.13096 182.9
[M+H-H2O]+ 308.16506 167.7
[M+HCOO]- 370.16600 191.8
[M+CH3COO]- 384.18165 211.8
[M+Na-2H]- 346.14247 177.8
[M]+ 325.16725 174.9
[M]- 325.16835 174.9
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.