CID 1211271

78816-55-4

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC
InChI
InChI=1S/C23H29N3O3/c1-4-25(5-2)15-14-22(27)26-20-9-7-6-8-17(20)10-11-18-12-13-19(16-21(18)26)24-23(28)29-3/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H,24,28)
InChIKey
JTVFPSMILIWOJL-UHFFFAOYSA-N
Compound name
methyl N-[11-[3-(diethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

395.2209 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 194.3
[M+Na]+ 418.21012 202.6
[M+NH4]+ 413.25472 199.7
[M+K]+ 434.18406 197.5
[M-H]- 394.21362 196.5
[M+Na-2H]- 416.19557 197.4
[M]+ 395.22035 195.8
[M]- 395.22145 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe