CID 3079248

Brn 4212472

Structural Information

Molecular Formula
C17H21N5O3S
SMILES
CCCC1=NN=C(S1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C17H21N5O3S/c1-3-6-15-20-22-17(26-15)18-13(23)9-10-14(24)19-21-16(25)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,19,24)(H,21,25)(H,18,22,23)
InChIKey
GNRNWLPHPIYSTB-UHFFFAOYSA-N
Compound name
4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14378 187.8
[M+Na]+ 398.12572 194.4
[M+NH4]+ 393.17032 191.7
[M+K]+ 414.09966 190.4
[M-H]- 374.12922 189.2
[M+Na-2H]- 396.11117 191.5
[M]+ 375.13595 188.9
[M]- 375.13705 188.9
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.