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]+ 270.13494 160.2
[M+Na]+ 292.11688 170.2
[M-H]- 268.12038 162.7
[M+NH4]+ 287.16148 176.3
[M+K]+ 308.09082 165.4
[M+H-H2O]+ 252.12492 151.4
[M+HCOO]- 314.12586 182.5
[M+CH3COO]- 328.14151 172.0
[M+Na-2H]- 290.10233 168.2
[M]+ 269.12711 163.1
[M]- 269.12821 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.