CID 3047138

Dl-methionine-4-antipyrineamide

Structural Information

Molecular Formula
C16H22N4O2S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CCSC)N
InChI
InChI=1S/C16H22N4O2S/c1-11-14(18-15(21)13(17)9-10-23-3)16(22)20(19(11)2)12-7-5-4-6-8-12/h4-8,13H,9-10,17H2,1-3H3,(H,18,21)
InChIKey
IWEXFJKPHLXPKL-UHFFFAOYSA-N
Compound name
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14636 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15364 179.3
[M+Na]+ 357.13558 186.9
[M-H]- 333.13908 183.7
[M+NH4]+ 352.18018 192.4
[M+K]+ 373.10952 182.0
[M+H-H2O]+ 317.14362 170.8
[M+HCOO]- 379.14456 196.1
[M+CH3COO]- 393.16021 214.6
[M+Na-2H]- 355.12103 176.2
[M]+ 334.14581 182.5
[M]- 334.14691 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.