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 182.2
[M-H]- 321.19722 183.0
[M+NH4]+ 340.23832 191.9
[M+K]+ 361.16766 182.4
[M+H-H2O]+ 305.20176 169.8
[M+HCOO]- 367.20270 195.0
[M+CH3COO]- 381.21835 218.0
[M+Na-2H]- 343.17917 180.4
[M]+ 322.20395 176.4
[M]- 322.20505 176.4
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.