CID 3072808

6,11-dihydro-n-(2-isopropylphenyl)-2-methyldibenz(b,e)oxepin-11-carboxamide

Structural Information

Molecular Formula
C25H25NO2
SMILES
CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2C(=O)NC4=CC=CC=C4C(C)C
InChI
InChI=1S/C25H25NO2/c1-16(2)19-9-6-7-11-22(19)26-25(27)24-20-10-5-4-8-18(20)15-28-23-13-12-17(3)14-21(23)24/h4-14,16,24H,15H2,1-3H3,(H,26,27)
InChIKey
VUUXTSZTYACSOI-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-propan-2-ylphenyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

371.18854 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 191.3
[M+Na]+ 394.17776 196.5
[M-H]- 370.18126 201.1
[M+NH4]+ 389.22236 203.3
[M+K]+ 410.15170 196.9
[M+H-H2O]+ 354.18580 184.6
[M+HCOO]- 416.18674 208.2
[M+CH3COO]- 430.20239 200.7
[M+Na-2H]- 392.16321 194.1
[M]+ 371.18799 189.5
[M]- 371.18909 189.5
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

patents stripe