CID 60194098

Gsk2646264

Structural Information

Molecular Formula
C24H26N2O2
SMILES
CC1=CC(=NC=C1)COC2=CC=CC(=C2C3=CC4=C(CCNCC4)C=C3)OC
InChI
InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3
InChIKey
KYANYGKXMNYFBX-UHFFFAOYSA-N
Compound name
7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

104
Patents

374.19943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 194.4
[M+Na]+ 397.18865 199.4
[M-H]- 373.19215 201.3
[M+NH4]+ 392.23325 203.1
[M+K]+ 413.16259 197.3
[M+H-H2O]+ 357.19669 184.1
[M+HCOO]- 419.19763 209.2
[M+CH3COO]- 433.21328 202.2
[M+Na-2H]- 395.17410 196.6
[M]+ 374.19888 190.5
[M]- 374.19998 190.5
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