CID 5272301

Acetamide, n-[4-(2-amino-4-thiazolyl)phenyl]-2-[(2-thienylmethyl)amino]-

Structural Information

Molecular Formula
C16H16N4OS2
SMILES
C1=CSC(=C1)CNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C16H16N4OS2/c17-16-20-14(10-23-16)11-3-5-12(6-4-11)19-15(21)9-18-8-13-2-1-7-22-13/h1-7,10,18H,8-9H2,(H2,17,20)(H,19,21)
InChIKey
ICBKDFBYMLHDHH-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(thiophen-2-ylmethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.07657 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08385 174.5
[M+Na]+ 367.06579 183.1
[M-H]- 343.06929 183.6
[M+NH4]+ 362.11039 190.0
[M+K]+ 383.03973 176.3
[M+H-H2O]+ 327.07383 167.0
[M+HCOO]- 389.07477 192.8
[M+CH3COO]- 403.09042 185.6
[M+Na-2H]- 365.05124 174.7
[M]+ 344.07602 177.0
[M]- 344.07712 177.0
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.