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 164.8
[M+Na]+ 306.11007 176.3
[M-H]- 282.11357 169.1
[M+NH4]+ 301.15467 183.6
[M+K]+ 322.08401 171.8
[M+H-H2O]+ 266.11811 158.5
[M+HCOO]- 328.11905 185.4
[M+CH3COO]- 342.13470 201.7
[M+Na-2H]- 304.09552 168.2
[M]+ 283.12030 170.8
[M]- 283.12140 170.8
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.