CID 5272379

Schembl7532393

Structural Information

Molecular Formula
C23H25N5O3S
SMILES
C1COCCN1C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C23H25N5O3S/c24-22-26-20(16-32-22)18-6-8-19(9-7-18)25-21(29)15-28(14-17-4-2-1-3-5-17)23(30)27-10-12-31-13-11-27/h1-9,16H,10-15H2,(H2,24,26)(H,25,29)
InChIKey
QTJSHINWBYHYGT-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylmorpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

451.16782 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.17510 204.4
[M+Na]+ 474.15704 206.2
[M-H]- 450.16054 215.0
[M+NH4]+ 469.20164 209.7
[M+K]+ 490.13098 202.7
[M+H-H2O]+ 434.16508 193.3
[M+HCOO]- 496.16602 218.6
[M+CH3COO]- 510.18167 211.2
[M+Na-2H]- 472.14249 203.3
[M]+ 451.16727 202.5
[M]- 451.16837 202.5
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

patents stripe