CID 1212773

83275-53-0

Structural Information

Molecular Formula
C23H27N3O4
SMILES
COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCOCC4)C=C1
InChI
InChI=1S/C23H27N3O4/c1-29-23(28)24-19-9-8-18-7-6-17-4-2-3-5-20(17)26(21(18)16-19)22(27)10-11-25-12-14-30-15-13-25/h2-5,8-9,16H,6-7,10-15H2,1H3,(H,24,28)
InChIKey
MUHZDPLHUXHUGL-UHFFFAOYSA-N
Compound name
methyl N-[11-(3-morpholin-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

409.20016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 197.0
[M+Na]+ 432.18938 199.5
[M-H]- 408.19288 202.9
[M+NH4]+ 427.23398 204.2
[M+K]+ 448.16332 200.8
[M+H-H2O]+ 392.19742 186.8
[M+HCOO]- 454.19836 208.5
[M+CH3COO]- 468.21401 203.7
[M+Na-2H]- 430.17483 199.2
[M]+ 409.19961 193.0
[M]- 409.20071 193.0
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