CID 3059299

4-o-acetylcarbazomycin b

Structural Information

Molecular Formula
C17H17NO3
SMILES
CC1=C(C(=C(C2=C1NC3=CC=CC=C32)OC(=O)C)OC)C
InChI
InChI=1S/C17H17NO3/c1-9-10(2)16(20-4)17(21-11(3)19)14-12-7-5-6-8-13(12)18-15(9)14/h5-8,18H,1-4H3
InChIKey
MLOKDARVTQAWEK-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-dimethyl-9H-carbazol-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 164.6
[M+Na]+ 306.11007 179.2
[M+NH4]+ 301.15467 172.7
[M+K]+ 322.08401 174.1
[M-H]- 282.11357 166.5
[M+Na-2H]- 304.09552 169.2
[M]+ 283.12030 167.3
[M]- 283.12140 167.3
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

No patent data available for this compound.