CID 5746829

Brn 6065858

Structural Information

Molecular Formula
C14H15N5O
SMILES
CC(=NNC1=C2C(=CN=N1)C3=C(N2)C=CC(=C3)OC)C
InChI
InChI=1S/C14H15N5O/c1-8(2)17-19-14-13-11(7-15-18-14)10-6-9(20-3)4-5-12(10)16-13/h4-7,16H,1-3H3,(H,18,19)
InChIKey
NWVFESPZRGDNQJ-UHFFFAOYSA-N
Compound name
8-methoxy-N-(propan-2-ylideneamino)-5H-pyridazino[4,5-b]indol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.12766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.134936 160.2
[M+Na]+ 292.116878 170.2
[M-H]- 268.120384 162.7
[M+NH4]+ 287.161483 176.3
[M+K]+ 308.090818 165.4
[M+H-H2O]+ 252.124920 151.4
[M+HCOO]- 314.125861 182.5
[M+CH3COO]- 328.141511 172.0
[M+Na-2H]- 290.102326 168.2
[M]+ 269.12711142 163.1
[M]- 269.12820858 163.1
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.