CID 3082756

Carbazomycin h

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC1=C(C(=O)C2=C(C1(C)O)NC3=C2C=C(C=C3)OC)OC
InChI
InChI=1S/C16H17NO4/c1-8-14(21-4)13(18)12-10-7-9(20-3)5-6-11(10)17-15(12)16(8,2)19/h5-7,17,19H,1-4H3
InChIKey
SMZGKKVSOZURAI-UHFFFAOYSA-N
Compound name
1-hydroxy-3,6-dimethoxy-1,2-dimethyl-9H-carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

287.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 163.3
[M+Na]+ 310.10497 175.9
[M-H]- 286.10847 166.6
[M+NH4]+ 305.14957 183.5
[M+K]+ 326.07891 171.1
[M+H-H2O]+ 270.11301 157.9
[M+HCOO]- 332.11395 182.4
[M+CH3COO]- 346.12960 199.5
[M+Na-2H]- 308.09042 167.8
[M]+ 287.11520 168.7
[M]- 287.11630 168.7
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