CID 5272480

N-[4-(2-aminothiazol-4-yl)phenyl]-3-(1-propylbutylamino)propanamide

Structural Information

Molecular Formula
C19H28N4OS
SMILES
CCCC(CCC)NCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C19H28N4OS/c1-3-5-15(6-4-2)21-12-11-18(24)22-16-9-7-14(8-10-16)17-13-25-19(20)23-17/h7-10,13,15,21H,3-6,11-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKey
XZHXMCFUWMYIEP-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20568 187.3
[M+Na]+ 383.18762 190.8
[M-H]- 359.19112 191.6
[M+NH4]+ 378.23222 199.8
[M+K]+ 399.16156 185.5
[M+H-H2O]+ 343.19566 178.1
[M+HCOO]- 405.19660 205.1
[M+CH3COO]- 419.21225 222.0
[M+Na-2H]- 381.17307 185.0
[M]+ 360.19785 188.8
[M]- 360.19895 188.8
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.