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]+ 354.181226 182.5
[M+Na]+ 376.163168 186.9
[M-H]- 352.166674 187.4
[M+NH4]+ 371.207773 195.0
[M+K]+ 392.137108 188.2
[M+H-H2O]+ 336.171210 174.8
[M+HCOO]- 398.172151 200.9
[M+CH3COO]- 412.187801 219.9
[M+Na-2H]- 374.148616 186.7
[M]+ 353.17340142 181.1
[M]- 353.17449858 181.1
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