CID 9868699

166599-63-9

Structural Information

Molecular Formula
C23H25BrN2O3
SMILES
CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)Br)C(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H25BrN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
InChIKey
DUYGSAPQVOBOCS-UHFFFAOYSA-N
Compound name
[6-bromo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

456.10486 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.11214 205.5
[M+Na]+ 479.09408 214.9
[M-H]- 455.09758 216.0
[M+NH4]+ 474.13868 216.8
[M+K]+ 495.06802 204.0
[M+H-H2O]+ 439.10212 202.2
[M+HCOO]- 501.10306 219.5
[M+CH3COO]- 515.11871 216.0
[M+Na-2H]- 477.07953 205.4
[M]+ 456.10431 226.3
[M]- 456.10541 226.3
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