CID 5272086

Chembl116983

Structural Information

Molecular Formula
C17H13BrN4
SMILES
CN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC(=CC=C4)Br)N
InChI
InChI=1S/C17H13BrN4/c1-22-13-8-3-2-7-12(13)15-16(22)14(17(19)21-20-15)10-5-4-6-11(18)9-10/h2-9H,1H3,(H2,19,21)
InChIKey
VTUPIDUVNNDPHO-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-5-methylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.03235 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03963 175.4
[M+Na]+ 375.02157 190.2
[M-H]- 351.02507 183.4
[M+NH4]+ 370.06617 192.1
[M+K]+ 390.99551 176.2
[M+H-H2O]+ 335.02961 172.8
[M+HCOO]- 397.03055 194.4
[M+CH3COO]- 411.04620 188.8
[M+Na-2H]- 373.00702 182.3
[M]+ 352.03180 195.5
[M]- 352.03290 195.5
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.