CID 24846831

Brn 5579046

Structural Information

Molecular Formula
C14H14N4OS
SMILES
CC1=NN=C2N1C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/S2
InChI
InChI=1S/C14H14N4OS/c1-9-15-16-14-18(9)13(19)12(20-14)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3/b12-8+
InChIKey
ANOVIYAUKCYVQS-XYOKQWHBSA-N
Compound name
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08884 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09612 165.0
[M+Na]+ 309.07806 178.2
[M-H]- 285.08156 172.6
[M+NH4]+ 304.12266 183.4
[M+K]+ 325.05200 173.7
[M+H-H2O]+ 269.08610 157.6
[M+HCOO]- 331.08704 185.6
[M+CH3COO]- 345.10269 178.7
[M+Na-2H]- 307.06351 165.5
[M]+ 286.08829 172.3
[M]- 286.08939 172.3
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.