CID 9589144

Propanal 2-methyl-, (7,8-dimethoxy-5h-pyridazino(4,5-b)indol-4-yl)hydrazone

Structural Information

Molecular Formula
C16H19N5O2
SMILES
CC(C)/C=N/NC1=C2C(=CN=N1)C3=CC(=C(C=C3N2)OC)OC
InChI
InChI=1S/C16H19N5O2/c1-9(2)7-17-20-16-15-11(8-18-21-16)10-5-13(22-3)14(23-4)6-12(10)19-15/h5-9,19H,1-4H3,(H,20,21)/b17-7+
InChIKey
NHTGCVXWDILIQB-REZTVBANSA-N
Compound name
7,8-dimethoxy-N-[(E)-2-methylpropylideneamino]-5H-pyridazino[4,5-b]indol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15387 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.161146 172.9
[M+Na]+ 336.143088 182.6
[M-H]- 312.146594 175.4
[M+NH4]+ 331.187693 187.4
[M+K]+ 352.117028 178.1
[M+H-H2O]+ 296.151130 163.8
[M+HCOO]- 358.152071 194.6
[M+CH3COO]- 372.167721 213.4
[M+Na-2H]- 334.128536 179.2
[M]+ 313.15332142 178.2
[M]- 313.15441858 178.2
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.