CID 9589144

Brn 5990728

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]+ 314.16115 172.9
[M+Na]+ 336.14309 182.6
[M-H]- 312.14659 175.4
[M+NH4]+ 331.18769 187.4
[M+K]+ 352.11703 178.1
[M+H-H2O]+ 296.15113 163.8
[M+HCOO]- 358.15207 194.6
[M+CH3COO]- 372.16772 213.4
[M+Na-2H]- 334.12854 179.2
[M]+ 313.15332 178.2
[M]- 313.15442 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.