CID 9589501

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

Structural Information

Molecular Formula
C13H17N5S
SMILES
CC/C(=N/NC1=NSC(=N)N1C2=CC=CC(=C2)C)/C
InChI
InChI=1S/C13H17N5S/c1-4-10(3)15-16-13-17-19-12(14)18(13)11-7-5-6-9(2)8-11/h5-8,14H,4H2,1-3H3,(H,16,17)/b14-12?,15-10+
InChIKey
WZXFTUJUPLBIIA-GZJXCLNASA-N
Compound name
N-[(E)-butan-2-ylideneamino]-5-imino-4-(3-methylphenyl)-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12773 163.2
[M+Na]+ 298.10967 173.8
[M+NH4]+ 293.15427 170.4
[M+K]+ 314.08361 167.2
[M-H]- 274.11317 167.5
[M+Na-2H]- 296.09512 170.0
[M]+ 275.11990 166.1
[M]- 275.12100 166.1
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.