CID 6410716

Brn 5997737

Structural Information

Molecular Formula
C17H17N5O
SMILES
CC1=CC=C(N1NC2=C3C(=CN=N2)C4=C(N3)C=CC(=C4)OC)C
InChI
InChI=1S/C17H17N5O/c1-10-4-5-11(2)22(10)21-17-16-14(9-18-20-17)13-8-12(23-3)6-7-15(13)19-16/h4-9,19H,1-3H3,(H,20,21)
InChIKey
BJVQAZLILWOQLE-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-8-methoxy-5H-pyridazino[4,5-b]indol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1433 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 171.3
[M+Na]+ 330.13252 187.0
[M+NH4]+ 325.17712 178.7
[M+K]+ 346.10646 183.2
[M-H]- 306.13602 174.5
[M+Na-2H]- 328.11797 178.5
[M]+ 307.14275 174.5
[M]- 307.14385 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.