CID 9571928

Nsc671879

Structural Information

Molecular Formula
C11H10N6S
SMILES
CC1=NN=C2N1N=C(S2)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C11H10N6S/c1-8-13-15-11-17(8)16-10(18-11)14-12-7-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16)/b12-7+
InChIKey
UVVKBPXCVLOPED-KPKJPENVSA-N
Compound name
N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06876 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07604 153.0
[M+Na]+ 281.05798 165.4
[M-H]- 257.06148 158.8
[M+NH4]+ 276.10258 170.5
[M+K]+ 297.03192 160.9
[M+H-H2O]+ 241.06602 144.4
[M+HCOO]- 303.06696 175.2
[M+CH3COO]- 317.08261 166.5
[M+Na-2H]- 279.04343 158.3
[M]+ 258.06821 158.3
[M]- 258.06931 158.3
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.