CID 11144806

[1-(2-acetoxypropyl)-6-bromo-3-methoxy-2-methyl-9h-carbazol-4-yl] acetate

Structural Information

Molecular Formula
C21H22BrNO5
SMILES
CC1=C(C2=C(C3=C(N2)C=CC(=C3)Br)C(=C1OC)OC(=O)C)CC(C)OC(=O)C
InChI
InChI=1S/C21H22BrNO5/c1-10(27-12(3)24)8-15-11(2)20(26-5)21(28-13(4)25)18-16-9-14(22)6-7-17(16)23-19(15)18/h6-7,9-10,23H,8H2,1-5H3
InChIKey
CGPQOTRFSNPERF-UHFFFAOYSA-N
Compound name
[1-(2-acetyloxypropyl)-6-bromo-3-methoxy-2-methyl-9H-carbazol-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.06815 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.07543 199.1
[M+Na]+ 470.05737 210.6
[M-H]- 446.06087 205.2
[M+NH4]+ 465.10197 214.5
[M+K]+ 486.03131 199.8
[M+H-H2O]+ 430.06541 198.0
[M+HCOO]- 492.06635 214.1
[M+CH3COO]- 506.08200 226.8
[M+Na-2H]- 468.04282 198.5
[M]+ 447.06760 225.1
[M]- 447.06870 225.1
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

No patent data available for this compound.