CID 5272302

N-[4-(2-aminothiazol-4-yl)phenyl]-2-(2-morpholinoethylamino)acetamide

Structural Information

Molecular Formula
C17H23N5O2S
SMILES
C1COCCN1CCNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C17H23N5O2S/c18-17-21-15(12-25-17)13-1-3-14(4-2-13)20-16(23)11-19-5-6-22-7-9-24-10-8-22/h1-4,12,19H,5-11H2,(H2,18,21)(H,20,23)
InChIKey
UWCXVRDAEPRZOQ-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15726 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16454 181.3
[M+Na]+ 384.14648 184.5
[M-H]- 360.14998 187.7
[M+NH4]+ 379.19108 190.5
[M+K]+ 400.12042 180.4
[M+H-H2O]+ 344.15452 171.4
[M+HCOO]- 406.15546 196.4
[M+CH3COO]- 420.17111 189.5
[M+Na-2H]- 382.13193 181.8
[M]+ 361.15671 178.7
[M]- 361.15781 178.7
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.