CID 9838242

Schembl5918471

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CN1C=C(C2=C1C=CC(=C2)CS(=O)(=O)N)CCN
InChI
InChI=1S/C12H17N3O2S/c1-15-7-10(4-5-13)11-6-9(2-3-12(11)15)8-18(14,16)17/h2-3,6-7H,4-5,8,13H2,1H3,(H2,14,16,17)
InChIKey
AFEMXVQSZFPQSF-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1-methylindol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

267.10416 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.111436 159.1
[M+Na]+ 290.093378 169.5
[M-H]- 266.096884 162.5
[M+NH4]+ 285.137983 177.4
[M+K]+ 306.067318 164.6
[M+H-H2O]+ 250.101420 153.0
[M+HCOO]- 312.102361 178.1
[M+CH3COO]- 326.118011 199.0
[M+Na-2H]- 288.078826 162.3
[M]+ 267.10361142 162.6
[M]- 267.10470858 162.6
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