CID 10668268

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

Structural Information

Molecular Formula
C16H13BrN2O3S
SMILES
CS(=O)(=O)N1C2=CC=CC=C2C(=C1C(=O)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C16H13BrN2O3S/c1-23(21,22)19-13-5-3-2-4-12(13)14(18)15(19)16(20)10-6-8-11(17)9-7-10/h2-9H,18H2,1H3
InChIKey
SUJKLZIXIXTIGC-UHFFFAOYSA-N
Compound name
(3-amino-1-methylsulfonylindol-2-yl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.98303 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99031 174.8
[M+Na]+ 414.97225 188.8
[M-H]- 390.97575 184.6
[M+NH4]+ 410.01685 192.0
[M+K]+ 430.94619 175.8
[M+H-H2O]+ 374.98029 174.3
[M+HCOO]- 436.98123 190.9
[M+CH3COO]- 450.99688 214.0
[M+Na-2H]- 412.95770 179.0
[M]+ 391.98248 197.8
[M]- 391.98358 197.8
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.