CID 5272591

4-(2-aminothiazol-4-yl)-n-(1h-benzimidazol-2-ylmethyl)-n-[2-(dibenzylamino)-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C34H30N6O2S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CN(CC3=NC4=CC=CC=C4N3)C(=O)C5=CC=C(C=C5)C6=CSC(=N6)N
InChI
InChI=1S/C34H30N6O2S/c35-34-38-30(23-43-34)26-15-17-27(18-16-26)33(42)40(21-31-36-28-13-7-8-14-29(28)37-31)22-32(41)39(19-24-9-3-1-4-10-24)20-25-11-5-2-6-12-25/h1-18,23H,19-22H2,(H2,35,38)(H,36,37)
InChIKey
SNQNORANNDNXDX-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(dibenzylamino)-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.2151 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.22238 232.0
[M+Na]+ 609.20432 235.0
[M-H]- 585.20782 245.9
[M+NH4]+ 604.24892 234.2
[M+K]+ 625.17826 228.6
[M+H-H2O]+ 569.21236 220.4
[M+HCOO]- 631.21330 248.0
[M+CH3COO]- 645.22895 237.5
[M+Na-2H]- 607.18977 231.0
[M]+ 586.21455 235.0
[M]- 586.21565 235.0
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.