CID 5272461

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

Structural Information

Molecular Formula
C19H19FN4OS
SMILES
C1=CC(=CC(=C1)F)CNCCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H19FN4OS/c20-15-3-1-2-13(10-15)11-22-9-8-18(25)23-16-6-4-14(5-7-16)17-12-26-19(21)24-17/h1-7,10,12,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKey
IGGWECDNRDUHBX-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[(3-fluorophenyl)methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13365 183.0
[M+Na]+ 393.11559 189.3
[M-H]- 369.11909 189.9
[M+NH4]+ 388.16019 194.9
[M+K]+ 409.08953 182.2
[M+H-H2O]+ 353.12363 172.7
[M+HCOO]- 415.12457 202.3
[M+CH3COO]- 429.14022 220.9
[M+Na-2H]- 391.10104 183.2
[M]+ 370.12582 182.2
[M]- 370.12692 182.2
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.