CID 5272592

4-(2-aminothiazol-4-yl)-n-[2-(dibenzylamino)-2-oxo-ethyl]-n-(2-furylmethyl)benzamide

Structural Information

Molecular Formula
C31H28N4O3S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C31H28N4O3S/c32-31-33-28(22-39-31)25-13-15-26(16-14-25)30(37)35(20-27-12-7-17-38-27)21-29(36)34(18-23-8-3-1-4-9-23)19-24-10-5-2-6-11-24/h1-17,22H,18-21H2,(H2,32,33)
InChIKey
JIINTANBRBOQJQ-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[2-(dibenzylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.18823 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.19551 230.2
[M+Na]+ 559.17745 233.4
[M-H]- 535.18095 247.6
[M+NH4]+ 554.22205 235.5
[M+K]+ 575.15139 230.0
[M+H-H2O]+ 519.18549 219.4
[M+HCOO]- 581.18643 250.8
[M+CH3COO]- 595.20208 237.8
[M+Na-2H]- 557.16290 227.4
[M]+ 536.18768 235.5
[M]- 536.18878 235.5
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.