CID 386858

Nsc679600

Structural Information

Molecular Formula
C17H11BrN2O
SMILES
C1=CC=C2C(=C1)C3=C(NC(=C3)C4=CC=C(C=C4)Br)NC2=O
InChI
InChI=1S/C17H11BrN2O/c18-11-7-5-10(6-8-11)15-9-14-12-3-1-2-4-13(12)17(21)20-16(14)19-15/h1-9H,(H2,19,20,21)
InChIKey
CONSGDZGSJEQOT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3,4-dihydropyrrolo[2,3-c]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01278 170.7
[M+Na]+ 360.99472 184.8
[M-H]- 336.99822 177.8
[M+NH4]+ 356.03932 188.2
[M+K]+ 376.96866 170.2
[M+H-H2O]+ 321.00276 169.8
[M+HCOO]- 383.00370 188.2
[M+CH3COO]- 397.01935 184.0
[M+Na-2H]- 358.98017 177.9
[M]+ 338.00495 188.8
[M]- 338.00605 188.8
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.