CID 1008294

78816-61-2

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCOCC4)C=C1
InChI
InChI=1S/C25H31N3O4/c1-18(2)32-25(30)26-21-10-9-20-8-7-19-5-3-4-6-22(19)28(23(20)17-21)24(29)11-12-27-13-15-31-16-14-27/h3-6,9-10,17-18H,7-8,11-16H2,1-2H3,(H,26,30)
InChIKey
CQIURCSQCDFSBD-UHFFFAOYSA-N
Compound name
propan-2-yl 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

6
References

0
Patents

437.23145 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 208.5
[M+Na]+ 460.22067 216.9
[M+NH4]+ 455.26527 213.1
[M+K]+ 476.19461 212.2
[M-H]- 436.22417 212.0
[M+Na-2H]- 458.20612 210.5
[M]+ 437.23090 210.4
[M]- 437.23200 210.4
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.