CID 3039024

42055-76-5

Structural Information

Molecular Formula
C16H17ClN4O3
SMILES
C1COCCN1C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H17ClN4O3/c17-12-3-1-2-11(8-12)16-18-13(10-15(22)20-23)9-14(19-16)21-4-6-24-7-5-21/h1-3,8-9,23H,4-7,10H2,(H,20,22)
InChIKey
REAYJEQXXUGDBM-UHFFFAOYSA-N
Compound name
2-[2-(3-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10618 180.1
[M+Na]+ 371.08812 186.0
[M-H]- 347.09162 184.4
[M+NH4]+ 366.13272 186.9
[M+K]+ 387.06206 181.2
[M+H-H2O]+ 331.09616 169.1
[M+HCOO]- 393.09710 190.4
[M+CH3COO]- 407.11275 188.4
[M+Na-2H]- 369.07357 183.5
[M]+ 348.09835 178.7
[M]- 348.09945 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.