CID 5272479

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

Structural Information

Molecular Formula
C19H26N4OS
SMILES
C1CCC(CC1)CNCCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H26N4OS/c20-19-23-17(13-25-19)15-6-8-16(9-7-15)22-18(24)10-11-21-12-14-4-2-1-3-5-14/h6-9,13-14,21H,1-5,10-12H2,(H2,20,23)(H,22,24)
InChIKey
MBYHQQPERSCHJT-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(cyclohexylmethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18274 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19002 181.8
[M+Na]+ 381.17196 184.1
[M-H]- 357.17546 188.4
[M+NH4]+ 376.21656 193.8
[M+K]+ 397.14590 178.3
[M+H-H2O]+ 341.18000 172.3
[M+HCOO]- 403.18094 198.0
[M+CH3COO]- 417.19659 218.2
[M+Na-2H]- 379.15741 180.7
[M]+ 358.18219 177.5
[M]- 358.18329 177.5
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.