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 181.8
[M+Na]+ 376.16317 186.4
[M-H]- 352.16667 188.1
[M+NH4]+ 371.20777 194.9
[M+K]+ 392.13711 189.0
[M+H-H2O]+ 336.17121 174.1
[M+HCOO]- 398.17215 200.7
[M+CH3COO]- 412.18780 222.9
[M+Na-2H]- 374.14862 185.5
[M]+ 353.17340 181.6
[M]- 353.17450 181.6
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.