CID 3052831

Brn 0494578

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC(=O)N1CC2=CC=CC=C2C(C3=CC=CC=C31)CCCN(C)C
InChI
InChI=1S/C21H26N2O/c1-16(24)23-15-17-9-4-5-10-18(17)19(12-8-14-22(2)3)20-11-6-7-13-21(20)23/h4-7,9-11,13,19H,8,12,14-15H2,1-3H3
InChIKey
VTOZKROQOGQWFN-UHFFFAOYSA-N
Compound name
1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 177.0
[M+Na]+ 345.19372 188.2
[M+NH4]+ 340.23832 184.8
[M+K]+ 361.16766 181.5
[M-H]- 321.19722 180.5
[M+Na-2H]- 343.17917 182.3
[M]+ 322.20395 179.7
[M]- 322.20505 179.7
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.