CID 10734085

(3-amino-1h-indol-2-yl)(4-bromophenyl)methanone

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C15H11BrN2O/c16-10-7-5-9(6-8-10)15(19)14-13(17)11-3-1-2-4-12(11)18-14/h1-8,18H,17H2
InChIKey
AJGGGFYOHQZENL-UHFFFAOYSA-N
Compound name
(3-amino-1H-indol-2-yl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.01278 164.9
[M+Na]+ 336.99472 169.4
[M+NH4]+ 332.03932 169.6
[M+K]+ 352.96866 169.8
[M-H]- 312.99822 167.3
[M+Na-2H]- 334.98017 169.2
[M]+ 314.00495 165.0
[M]- 314.00605 165.0
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.