CID 2272923

134068-46-5

Structural Information

Molecular Formula
C22H27N3O4
SMILES
CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCNCCO)C=C1
InChI
InChI=1S/C22H27N3O4/c1-2-29-22(28)24-18-10-9-17-8-7-16-5-3-4-6-19(16)25(20(17)15-18)21(27)11-12-23-13-14-26/h3-6,9-10,15,23,26H,2,7-8,11-14H2,1H3,(H,24,28)
InChIKey
NBANXQQLBHBHEY-UHFFFAOYSA-N
Compound name
ethyl N-[11-[3-(2-hydroxyethylamino)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.20016 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20744 193.4
[M+Na]+ 420.18938 200.8
[M+NH4]+ 415.23398 197.9
[M+K]+ 436.16332 196.3
[M-H]- 396.19288 194.4
[M+Na-2H]- 418.17483 195.6
[M]+ 397.19961 194.4
[M]- 397.20071 194.4
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.