CID 3052830

Brn 1556279

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC(=O)OC1=NC2=CC=CC=C2C(C3=CC=CC=C31)(CCCN(C)C)OC(=O)C
InChI
InChI=1S/C23H26N2O4/c1-16(26)28-22-18-10-5-6-11-19(18)23(29-17(2)27,14-9-15-25(3)4)20-12-7-8-13-21(20)24-22/h5-8,10-13H,9,14-15H2,1-4H3
InChIKey
TWSSBGPSDPQAGV-UHFFFAOYSA-N
Compound name
[11-acetyloxy-11-[3-(dimethylamino)propyl]benzo[c][1]benzazepin-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18927 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 193.4
[M+Na]+ 417.178488 199.3
[M-H]- 393.181994 199.9
[M+NH4]+ 412.223093 207.1
[M+K]+ 433.152428 201.4
[M+H-H2O]+ 377.186530 185.7
[M+HCOO]- 439.187471 211.8
[M+CH3COO]- 453.203121 227.5
[M+Na-2H]- 415.163936 197.0
[M]+ 394.18872142 197.7
[M]- 394.18981858 197.7
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.