CID 6478933

(e)-3-(2-chlorophenyl)-n-[5-(2-methylbutylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Structural Information

Molecular Formula
C16H19ClN4OS
SMILES
CCC(C)CNC1=NN=C(S1)NC(=O)/C=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C16H19ClN4OS/c1-3-11(2)10-18-15-20-21-16(23-15)19-14(22)9-8-12-6-4-5-7-13(12)17/h4-9,11H,3,10H2,1-2H3,(H,18,20)(H,19,21,22)/b9-8+
InChIKey
UDHLOZJTHXAGNU-CMDGGOBGSA-N
Compound name
(E)-3-(2-chlorophenyl)-N-[5-(2-methylbutylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0968 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10408 181.9
[M+Na]+ 373.08602 188.7
[M-H]- 349.08952 186.1
[M+NH4]+ 368.13062 195.1
[M+K]+ 389.05996 182.0
[M+H-H2O]+ 333.09406 173.6
[M+HCOO]- 395.09500 194.7
[M+CH3COO]- 409.11065 213.3
[M+Na-2H]- 371.07147 180.6
[M]+ 350.09625 185.8
[M]- 350.09735 185.8
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.