CID 9589498

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

Structural Information

Molecular Formula
C14H19N5OS
SMILES
CC/C(=N/NC1=NSC(=N)N1C2=CC=C(C=C2)OCC)/C
InChI
InChI=1S/C14H19N5OS/c1-4-10(3)16-17-14-18-21-13(15)19(14)11-6-8-12(9-7-11)20-5-2/h6-9,15H,4-5H2,1-3H3,(H,17,18)/b15-13?,16-10+
InChIKey
ZTZRUHLANMJQBC-PXLGEXPXSA-N
Compound name
N-[(E)-butan-2-ylideneamino]-4-(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13832 169.9
[M+Na]+ 328.12026 177.6
[M-H]- 304.12376 176.0
[M+NH4]+ 323.16486 184.6
[M+K]+ 344.09420 173.1
[M+H-H2O]+ 288.12830 160.6
[M+HCOO]- 350.12924 191.3
[M+CH3COO]- 364.14489 212.5
[M+Na-2H]- 326.10571 171.5
[M]+ 305.13049 173.2
[M]- 305.13159 173.2
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.