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
4
Annotation Hits

139
References

4193
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 202.7
[M+Na]+ 456.20062 203.5
[M-H]- 432.20412 208.4
[M+NH4]+ 451.24522 207.0
[M+K]+ 472.17456 199.0
[M+H-H2O]+ 416.20866 189.9
[M+HCOO]- 478.20960 223.3
[M+CH3COO]- 492.22525 235.3
[M+Na-2H]- 454.18607 206.5
[M]+ 433.21085 202.5
[M]- 433.21195 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

literature stripe

Patent stripe

patents stripe