CID 5272497

N-benzyl-n-[2-[4-[2-(dimethylamino)thiazol-4-yl]anilino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C27H26N4O2S
SMILES
CN(C)C1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H26N4O2S/c1-30(2)27-29-24(19-34-27)21-13-15-23(16-14-21)28-25(32)18-31(17-20-9-5-3-6-10-20)26(33)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3,(H,28,32)
InChIKey
ZBXQPFRJBNCONT-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]anilino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.17764 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18492 214.4
[M+Na]+ 493.16686 217.1
[M-H]- 469.17036 227.8
[M+NH4]+ 488.21146 222.4
[M+K]+ 509.14080 212.7
[M+H-H2O]+ 453.17490 202.7
[M+HCOO]- 515.17584 234.0
[M+CH3COO]- 529.19149 244.7
[M+Na-2H]- 491.15231 213.3
[M]+ 470.17709 217.5
[M]- 470.17819 217.5
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.