CID 9589495

115370-81-5

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]+ 262.112106 157.6
[M+Na]+ 284.094048 165.7
[M-H]- 260.097554 163.8
[M+NH4]+ 279.138653 174.0
[M+K]+ 300.067988 161.1
[M+H-H2O]+ 244.102090 148.7
[M+HCOO]- 306.103031 179.6
[M+CH3COO]- 320.118681 203.2
[M+Na-2H]- 282.079496 160.7
[M]+ 261.10428142 158.6
[M]- 261.10537858 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.