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

1
Patents

314.0055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.012776 164.9
[M+Na]+ 336.994718 177.2
[M-H]- 312.998224 172.8
[M+NH4]+ 332.039323 183.5
[M+K]+ 352.968658 163.6
[M+H-H2O]+ 297.002760 163.7
[M+HCOO]- 359.003701 185.4
[M+CH3COO]- 373.019351 178.6
[M+Na-2H]- 334.980166 170.0
[M]+ 314.00495142 182.2
[M]- 314.00604858 182.2
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

patents stripe