CID 9813988

88919-22-6

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3
InChIKey
MURZXKIEJFJMPP-UHFFFAOYSA-N
Compound name
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

267.10416 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 158.2
[M+Na]+ 290.09338 167.3
[M-H]- 266.09688 160.3
[M+NH4]+ 285.13798 175.7
[M+K]+ 306.06732 161.9
[M+H-H2O]+ 250.10142 152.1
[M+HCOO]- 312.10236 176.4
[M+CH3COO]- 326.11801 195.9
[M+Na-2H]- 288.07883 162.8
[M]+ 267.10361 160.5
[M]- 267.10471 160.5
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