CID 1611591

134068-45-4

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CCNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC
InChI
InChI=1S/C20H23N3O3/c1-3-21-13-19(24)23-17-7-5-4-6-14(17)8-9-15-10-11-16(12-18(15)23)22-20(25)26-2/h4-7,10-12,21H,3,8-9,13H2,1-2H3,(H,22,25)
InChIKey
LIVFVPSFSJHZTF-UHFFFAOYSA-N
Compound name
methyl N-[11-[2-(ethylamino)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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 182.2
[M+Na]+ 376.16317 191.1
[M+NH4]+ 371.20777 187.9
[M+K]+ 392.13711 186.1
[M-H]- 352.16667 184.3
[M+Na-2H]- 374.14862 185.9
[M]+ 353.17340 183.8
[M]- 353.17450 183.8
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

patents stripe