CID 3052831

69352-70-1

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]+ 323.211776 177.0
[M+Na]+ 345.193718 182.2
[M-H]- 321.197224 183.0
[M+NH4]+ 340.238323 191.9
[M+K]+ 361.167658 182.4
[M+H-H2O]+ 305.201760 169.8
[M+HCOO]- 367.202701 195.0
[M+CH3COO]- 381.218351 218.0
[M+Na-2H]- 343.179166 180.4
[M]+ 322.20395142 176.4
[M]- 322.20504858 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.