CID 6410717

Brn 5999102

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CC1=CC=C(N1NC2=C3C(=CN=N2)C4=CC(=C(C=C4N3)OC)OC)C
InChI
InChI=1S/C18H19N5O2/c1-10-5-6-11(2)23(10)22-18-17-13(9-19-21-18)12-7-15(24-3)16(25-4)8-14(12)20-17/h5-9,20H,1-4H3,(H,21,22)
InChIKey
RVIWACAJBMAAJL-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15387 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 179.7
[M+Na]+ 360.14309 192.7
[M-H]- 336.14659 184.5
[M+NH4]+ 355.18769 193.6
[M+K]+ 376.11703 186.3
[M+H-H2O]+ 320.15113 170.6
[M+HCOO]- 382.15207 201.1
[M+CH3COO]- 396.16772 191.3
[M+Na-2H]- 358.12854 183.4
[M]+ 337.15332 187.0
[M]- 337.15442 187.0
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.