CID 44722290

303107-69-9

Structural Information

Molecular Formula
C20H17BrN4O2
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=C3CCC4=CC=CC=C4C3=NN2)Br
InChI
InChI=1S/C20H17BrN4O2/c1-27-17-9-6-12(10-16(17)21)11-22-25-20(26)19-15-8-7-13-4-2-3-5-14(13)18(15)23-24-19/h2-6,9-11H,7-8H2,1H3,(H,23,24)(H,25,26)/b22-11+
InChIKey
JQBQHMQRUQYJQE-SSDVNMTOSA-N
Compound name
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0535 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.06078 190.8
[M+Na]+ 447.04272 200.2
[M-H]- 423.04622 198.8
[M+NH4]+ 442.08732 204.9
[M+K]+ 463.01666 187.1
[M+H-H2O]+ 407.05076 187.3
[M+HCOO]- 469.05170 208.5
[M+CH3COO]- 483.06735 201.6
[M+Na-2H]- 445.02817 195.8
[M]+ 424.05295 209.0
[M]- 424.05405 209.0
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.