CID 132443160

Dtxsid901366250

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC1=C(C=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CCC(=O)N(C)C)C
InChI
InChI=1S/C23H30N2O2/c1-17-5-6-20(13-18(17)2)15-25-11-12-27-22-9-7-19(14-21(22)16-25)8-10-23(26)24(3)4/h5-7,9,13-14H,8,10-12,15-16H2,1-4H3
InChIKey
OCHYVPSQFQZUET-UHFFFAOYSA-N
Compound name
3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 190.4
[M+Na]+ 389.219958 194.5
[M-H]- 365.223464 198.9
[M+NH4]+ 384.264563 201.1
[M+K]+ 405.193898 196.5
[M+H-H2O]+ 349.228000 181.8
[M+HCOO]- 411.228941 207.1
[M+CH3COO]- 425.244591 225.4
[M+Na-2H]- 387.205406 191.0
[M]+ 366.23019142 190.0
[M]- 366.23128858 190.0
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.