CID 53340666

1316214-52-4

Structural Information

Molecular Formula
C24H27N5O3
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
InChI
InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
InChIKey
QGZYDVAGYRLSKP-UHFFFAOYSA-N
Compound name
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

137
References

4192
Patents

433.2114 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21868 205.7
[M+Na]+ 456.20062 216.0
[M+NH4]+ 451.24522 209.8
[M+K]+ 472.17456 209.5
[M-H]- 432.20412 210.7
[M+Na-2H]- 454.18607 214.2
[M]+ 433.21085 208.1
[M]- 433.21195 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe