CID 3044708

57630-88-3

Structural Information

Molecular Formula
C19H16ClN5O3
SMILES
C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC(=C2)CC(=O)NO)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClN5O3/c20-12-7-5-11(6-8-12)19-22-13(10-17(26)25-28)9-16(24-19)23-15-4-2-1-3-14(15)18(21)27/h1-9,28H,10H2,(H2,21,27)(H,25,26)(H,22,23,24)
InChIKey
PAFKBPSLZRVEME-UHFFFAOYSA-N
Compound name
2-[[2-(4-chlorophenyl)-6-[2-(hydroxyamino)-2-oxoethyl]pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.09418 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.10146 190.6
[M+Na]+ 420.08340 197.2
[M-H]- 396.08690 196.4
[M+NH4]+ 415.12800 197.5
[M+K]+ 436.05734 190.7
[M+H-H2O]+ 380.09144 180.3
[M+HCOO]- 442.09238 207.3
[M+CH3COO]- 456.10803 225.4
[M+Na-2H]- 418.06885 193.6
[M]+ 397.09363 190.7
[M]- 397.09473 190.7
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.