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 193.5
[M+Na]+ 399.20432 200.2
[M-H]- 375.20782 199.8
[M+NH4]+ 394.24892 208.4
[M+K]+ 415.17826 197.7
[M+H-H2O]+ 359.21236 186.6
[M+HCOO]- 421.21330 211.9
[M+CH3COO]- 435.22895 202.9
[M+Na-2H]- 397.18977 196.1
[M]+ 376.21455 195.1
[M]- 376.21565 195.1
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.