CID 3056946

73918-69-1

Structural Information

Molecular Formula
C11H9N3O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)NN=C3
InChI
InChI=1S/C11H9N3O/c1-14-9-5-3-2-4-7(9)8-6-12-13-11(15)10(8)14/h2-6H,1H3,(H,13,15)
InChIKey
DPBGBHOLCPPFOL-UHFFFAOYSA-N
Compound name
5-methyl-3H-pyridazino[4,5-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

199.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 140.7
[M+Na]+ 222.06377 153.8
[M-H]- 198.06727 142.2
[M+NH4]+ 217.10837 159.8
[M+K]+ 238.03771 148.2
[M+H-H2O]+ 182.07181 133.2
[M+HCOO]- 244.07275 161.4
[M+CH3COO]- 258.08840 154.3
[M+Na-2H]- 220.04922 149.4
[M]+ 199.07400 142.7
[M]- 199.07510 142.7
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