CID 126514

Dendrodoine

Structural Information

Molecular Formula
C13H12N4OS
SMILES
CN(C)C1=NSC(=N1)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H12N4OS/c1-17(2)13-15-12(19-16-13)11(18)9-7-14-10-6-4-3-5-8(9)10/h3-7,14H,1-2H3
InChIKey
XXIZLPNTFMKYIO-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

272.07318 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08046 158.3
[M+Na]+ 295.06240 170.5
[M+NH4]+ 290.10700 166.1
[M+K]+ 311.03634 166.6
[M-H]- 271.06590 161.0
[M+Na-2H]- 293.04785 164.9
[M]+ 272.07263 161.1
[M]- 272.07373 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe