CID 55988

89632-42-8

Structural Information

Molecular Formula
C18H19N5OS2
SMILES
CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NNC3=CC=CC=C3C
InChI
InChI=1S/C18H19N5OS2/c1-12-7-9-14(10-8-12)19-17-22-23-18(26-17)25-11-16(24)21-20-15-6-4-3-5-13(15)2/h3-10,20H,11H2,1-2H3,(H,19,22)(H,21,24)
InChIKey
AOTHPWXHJDUUDO-UHFFFAOYSA-N
Compound name
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N'-(2-methylphenyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1031 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11038 183.9
[M+Na]+ 408.09232 191.2
[M-H]- 384.09582 191.1
[M+NH4]+ 403.13692 194.7
[M+K]+ 424.06626 183.3
[M+H-H2O]+ 368.10036 174.9
[M+HCOO]- 430.10130 198.6
[M+CH3COO]- 444.11695 193.1
[M+Na-2H]- 406.07777 185.4
[M]+ 385.10255 186.2
[M]- 385.10365 186.2
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.