CID 1069337

105774-17-2

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CN(C)CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC
InChI
InChI=1S/C20H23N3O3/c1-22(2)13-19(24)23-17-7-5-4-6-14(17)8-9-15-10-11-16(12-18(15)23)21-20(25)26-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,25)
InChIKey
MGMKQXKQKZDMFY-UHFFFAOYSA-N
Compound name
methyl N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.17395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 181.4
[M+Na]+ 376.16317 190.4
[M+NH4]+ 371.20777 187.3
[M+K]+ 392.13711 186.0
[M-H]- 352.16667 183.8
[M+Na-2H]- 374.14862 185.4
[M]+ 353.17340 183.2
[M]- 353.17450 183.2
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.