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 171.4
[M+Na]+ 330.13252 184.3
[M-H]- 306.13602 176.0
[M+NH4]+ 325.17712 186.4
[M+K]+ 346.10646 177.4
[M+H-H2O]+ 290.14056 162.3
[M+HCOO]- 352.14150 193.1
[M+CH3COO]- 366.15715 183.4
[M+Na-2H]- 328.11797 176.3
[M]+ 307.14275 176.7
[M]- 307.14385 176.7
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.