CID 135574838

Brn 0757954

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=C3C=NNC4=O
InChI
InChI=1S/C17H13N3O2/c21-17-16-14(9-18-20-17)13-8-12(6-7-15(13)19-16)22-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,20,21)
InChIKey
HEXUMJBLSLCAHN-UHFFFAOYSA-N
Compound name
8-phenylmethoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.10077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 165.0
[M+Na]+ 314.08999 175.9
[M-H]- 290.09349 167.9
[M+NH4]+ 309.13459 178.8
[M+K]+ 330.06393 168.1
[M+H-H2O]+ 274.09803 155.6
[M+HCOO]- 336.09897 183.5
[M+CH3COO]- 350.11462 176.0
[M+Na-2H]- 312.07544 172.5
[M]+ 291.10022 165.9
[M]- 291.10132 165.9
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.