CID 5276613

Imbiline-1

Structural Information

Molecular Formula
C17H12N2O3
SMILES
CN1C2=C(C3=CC=CC=C3C4=NC=CC(=C24)C(=O)C1=O)OC
InChI
InChI=1S/C17H12N2O3/c1-19-14-12-11(15(20)17(19)21)7-8-18-13(12)9-5-3-4-6-10(9)16(14)22-2/h3-8H,1-2H3
InChIKey
QTEJCDJYVNJQSZ-UHFFFAOYSA-N
Compound name
8-methoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-11,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.08478 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 166.2
[M+Na]+ 315.07400 178.5
[M-H]- 291.07750 170.1
[M+NH4]+ 310.11860 182.7
[M+K]+ 331.04794 173.2
[M+H-H2O]+ 275.08204 156.8
[M+HCOO]- 337.08298 183.8
[M+CH3COO]- 351.09863 178.3
[M+Na-2H]- 313.05945 174.3
[M]+ 292.08423 171.4
[M]- 292.08533 171.4
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.