CID 5272459

N-[4-(2-aminothiazol-4-yl)phenyl]-3-(dibenzylamino)propanamide

Structural Information

Molecular Formula
C26H26N4OS
SMILES
C1=CC=C(C=C1)CN(CCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)CC4=CC=CC=C4
InChI
InChI=1S/C26H26N4OS/c27-26-29-24(19-32-26)22-11-13-23(14-12-22)28-25(31)15-16-30(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-14,19H,15-18H2,(H2,27,29)(H,28,31)
InChIKey
MXOIBFHMVNSVFQ-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(dibenzylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.18274 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19002 204.8
[M+Na]+ 465.17196 208.5
[M-H]- 441.17546 216.4
[M+NH4]+ 460.21656 213.5
[M+K]+ 481.14590 201.6
[M+H-H2O]+ 425.18000 193.6
[M+HCOO]- 487.18094 224.6
[M+CH3COO]- 501.19659 212.8
[M+Na-2H]- 463.15741 205.0
[M]+ 442.18219 205.6
[M]- 442.18329 205.6
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.