CID 5272514

N-[4-[2-(tert-butylcarbamoylamino)thiazol-4-yl]phenyl]-3-(dibenzylamino)propanamide

Structural Information

Molecular Formula
C31H35N5O2S
SMILES
CC(C)(C)NC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CCN(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C31H35N5O2S/c1-31(2,3)35-29(38)34-30-33-27(22-39-30)25-14-16-26(17-15-25)32-28(37)18-19-36(20-23-10-6-4-7-11-23)21-24-12-8-5-9-13-24/h4-17,22H,18-21H2,1-3H3,(H,32,37)(H2,33,34,35,38)
InChIKey
XFHXJIOWTZDEBR-UHFFFAOYSA-N
Compound name
N-[4-[2-(tert-butylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-3-(dibenzylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.25116 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.25844 230.5
[M+Na]+ 564.24038 230.7
[M-H]- 540.24388 241.8
[M+NH4]+ 559.28498 234.8
[M+K]+ 580.21432 225.2
[M+H-H2O]+ 524.24842 218.7
[M+HCOO]- 586.24936 247.9
[M+CH3COO]- 600.26501 257.2
[M+Na-2H]- 562.22583 230.9
[M]+ 541.25061 232.4
[M]- 541.25171 232.4
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.