CID 1605958

134068-40-9

Structural Information

Molecular Formula
C22H27N3O4
SMILES
CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNCCO)C=C1
InChI
InChI=1S/C22H27N3O4/c1-15(2)29-22(28)24-18-10-9-17-8-7-16-5-3-4-6-19(16)25(20(17)13-18)21(27)14-23-11-12-26/h3-6,9-10,13,15,23,26H,7-8,11-12,14H2,1-2H3,(H,24,28)
InChIKey
HOCASTTYVPLLEC-UHFFFAOYSA-N
Compound name
propan-2-yl N-[11-[2-(2-hydroxyethylamino)acetyl]-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20744 192.6
[M+Na]+ 420.18938 199.7
[M+NH4]+ 415.23398 197.0
[M+K]+ 436.16332 196.0
[M-H]- 396.19288 193.4
[M+Na-2H]- 418.17483 194.5
[M]+ 397.19961 193.4
[M]- 397.20071 193.4
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.