CID 6115823

92340-62-0

Structural Information

Molecular Formula
C7H7N3O3S
SMILES
CC1=NN=C(S1)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C7H7N3O3S/c1-4-9-10-7(14-4)8-5(11)2-3-6(12)13/h2-3H,1H3,(H,12,13)(H,8,10,11)/b3-2+
InChIKey
HFVBPZSRKLSUOJ-NSCUHMNNSA-N
Compound name
(E)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.02081 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02809 144.4
[M+Na]+ 236.01003 152.6
[M-H]- 212.01353 144.7
[M+NH4]+ 231.05463 161.7
[M+K]+ 251.98397 149.9
[M+H-H2O]+ 196.01807 137.6
[M+HCOO]- 258.01901 161.2
[M+CH3COO]- 272.03466 181.9
[M+Na-2H]- 233.99548 145.0
[M]+ 213.02026 146.0
[M]- 213.02136 146.0
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