CID 5272493

N-[2-[4-[2-(methylamino)thiazol-4-yl]anilino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C19H18N4O2S
SMILES
CNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18N4O2S/c1-20-19-23-16(12-26-19)13-7-9-15(10-8-13)22-17(24)11-21-18(25)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKey
RNTDXBRGOXBMOZ-UHFFFAOYSA-N
Compound name
N-[2-[4-[2-(methylamino)-1,3-thiazol-4-yl]anilino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12233 184.1
[M+Na]+ 389.10427 189.1
[M-H]- 365.10777 192.7
[M+NH4]+ 384.14887 195.9
[M+K]+ 405.07821 183.7
[M+H-H2O]+ 349.11231 174.5
[M+HCOO]- 411.11325 204.4
[M+CH3COO]- 425.12890 219.3
[M+Na-2H]- 387.08972 185.6
[M]+ 366.11450 184.8
[M]- 366.11560 184.8
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.