CID 9589495

5-imino-4-phenyl-1,2,4-thiadiazolidin-3-one (1-methylpropylidene)hydrazone

Structural Information

Molecular Formula
C12H15N5S
SMILES
CC/C(=N/NC1=NSC(=N)N1C2=CC=CC=C2)/C
InChI
InChI=1S/C12H15N5S/c1-3-9(2)14-15-12-16-18-11(13)17(12)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3,(H,15,16)/b13-11?,14-9+
InChIKey
CUMAJRQSJZWUEN-LUISTUDMSA-N
Compound name
N-[(E)-butan-2-ylideneamino]-5-imino-4-phenyl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.10483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11211 157.6
[M+Na]+ 284.09405 165.7
[M-H]- 260.09755 163.8
[M+NH4]+ 279.13865 174.0
[M+K]+ 300.06799 161.1
[M+H-H2O]+ 244.10209 148.7
[M+HCOO]- 306.10303 179.6
[M+CH3COO]- 320.11868 203.2
[M+Na-2H]- 282.07950 160.7
[M]+ 261.10428 158.6
[M]- 261.10538 158.6
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.