CID 5276612

Hadranthine a

Structural Information

Molecular Formula
C18H14N2O4
SMILES
CN1C2=C(C3=C(C=C(C=C3)OC)C4=NC=CC(=C24)C(=O)C1=O)OC
InChI
InChI=1S/C18H14N2O4/c1-20-15-13-11(16(21)18(20)22)6-7-19-14(13)12-8-9(23-2)4-5-10(12)17(15)24-3/h4-8H,1-3H3
InChIKey
VBXQWWHNFRKNSR-UHFFFAOYSA-N
Compound name
4,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 174.4
[M+Na]+ 345.08459 186.7
[M-H]- 321.08809 178.4
[M+NH4]+ 340.12919 189.8
[M+K]+ 361.05853 182.1
[M+H-H2O]+ 305.09263 164.8
[M+HCOO]- 367.09357 191.6
[M+CH3COO]- 381.10922 186.1
[M+Na-2H]- 343.07004 181.3
[M]+ 322.09482 181.7
[M]- 322.09592 181.7
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

No patent data available for this compound.