CID 6435479

Brn 5578208

Structural Information

Molecular Formula
C11H15N3O3S
SMILES
CC(C)CC1=NN=C(S1)NC(=O)/C=C/C(=O)OC
InChI
InChI=1S/C11H15N3O3S/c1-7(2)6-9-13-14-11(18-9)12-8(15)4-5-10(16)17-3/h4-5,7H,6H2,1-3H3,(H,12,14,15)/b5-4+
InChIKey
XVMAYQRYXFVRFM-SNAWJCMRSA-N
Compound name
methyl (E)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0834 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09068 163.0
[M+Na]+ 292.07262 170.1
[M+NH4]+ 287.11722 167.7
[M+K]+ 308.04656 166.6
[M-H]- 268.07612 161.2
[M+Na-2H]- 290.05807 164.2
[M]+ 269.08285 163.3
[M]- 269.08395 163.3
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.