CID 10356352

Aristolactam aiiia

Structural Information

Molecular Formula
C16H11NO4
SMILES
COC1=C(C=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)O
InChI
InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
InChIKey
PFXGXKFPTAJYHV-UHFFFAOYSA-N
Compound name
4,14-dihydroxy-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

22
Patents

281.06882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07610 160.4
[M+Na]+ 304.05804 172.4
[M-H]- 280.06154 162.7
[M+NH4]+ 299.10264 178.9
[M+K]+ 320.03198 166.5
[M+H-H2O]+ 264.06608 154.5
[M+HCOO]- 326.06702 177.7
[M+CH3COO]- 340.08267 172.6
[M+Na-2H]- 302.04349 166.4
[M]+ 281.06827 164.3
[M]- 281.06937 164.3
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

patents stripe