CID 383921

Nsc672877

Structural Information

Molecular Formula
C20H23NO3
SMILES
COC1=C(C=C2C(ON(CCC2=C1)CC3=CC=CC=C3)C=C)OC
InChI
InChI=1S/C20H23NO3/c1-4-18-17-13-20(23-3)19(22-2)12-16(17)10-11-21(24-18)14-15-8-6-5-7-9-15/h4-9,12-13,18H,1,10-11,14H2,2-3H3
InChIKey
OZWWEIDSIBLVQN-UHFFFAOYSA-N
Compound name
3-benzyl-1-ethenyl-7,8-dimethoxy-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 176.2
[M+Na]+ 348.15702 182.2
[M-H]- 324.16052 183.7
[M+NH4]+ 343.20162 188.1
[M+K]+ 364.13096 183.4
[M+H-H2O]+ 308.16506 168.3
[M+HCOO]- 370.16600 193.5
[M+CH3COO]- 384.18165 211.0
[M+Na-2H]- 346.14247 179.6
[M]+ 325.16725 176.2
[M]- 325.16835 176.2
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.