CID 24832515

89632-41-7

Structural Information

Molecular Formula
C18H19N5O2S2
SMILES
CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NNC3=CC=CC=C3OC
InChI
InChI=1S/C18H19N5O2S2/c1-12-7-9-13(10-8-12)19-17-22-23-18(27-17)26-11-16(24)21-20-14-5-3-4-6-15(14)25-2/h3-10,20H,11H2,1-2H3,(H,19,22)(H,21,24)
InChIKey
HQBUQIYLPGFVLQ-UHFFFAOYSA-N
Compound name
N'-(2-methoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09802 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10530 187.0
[M+Na]+ 424.08724 197.3
[M+NH4]+ 419.13184 193.6
[M+K]+ 440.06118 189.0
[M-H]- 400.09074 192.9
[M+Na-2H]- 422.07269 195.2
[M]+ 401.09747 190.8
[M]- 401.09857 190.8
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.