CID 65912

Amitivir

Structural Information

Molecular Formula
C3H2N4S
SMILES
C1=NN=C(S1)NC#N
InChI
InChI=1S/C3H2N4S/c4-1-5-3-7-6-2-8-3/h2H,(H,5,7)
InChIKey
YUCHAYRHHXJNQK-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazol-2-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

556
Patents

126.000015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00729 122.3
[M+Na]+ 148.98923 133.2
[M-H]- 124.99274 123.6
[M+NH4]+ 144.03384 141.5
[M+K]+ 164.96317 132.2
[M+H-H2O]+ 108.99728 108.5
[M+HCOO]- 170.99822 138.9
[M+CH3COO]- 185.01387 182.2
[M+Na-2H]- 146.97468 127.5
[M]+ 125.99947 118.0
[M]- 126.00056 118.0
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