CID 5311198

K 185

Structural Information

Molecular Formula
C24H28N2O2
SMILES
CCCC(=O)NCCC1=C2C3=CC=CC=C3CCCN2C4=C1C=C(C=C4)OC
InChI
InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
InChIKey
SPIFQXPRSJKRAO-UHFFFAOYSA-N
Compound name
N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

2
Patents

376.2151 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 191.4
[M+Na]+ 399.20432 202.5
[M+NH4]+ 394.24892 198.8
[M+K]+ 415.17826 196.7
[M-H]- 375.20782 194.5
[M+Na-2H]- 397.18977 195.1
[M]+ 376.21455 193.9
[M]- 376.21565 193.9
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