CID 16058637

929007-72-7

Structural Information

Molecular Formula
C17H15N5O2
SMILES
C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O
InChI
InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
InChIKey
QHPKKGUGRGRSGA-UHFFFAOYSA-N
Compound name
2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

15
Patents

321.1226 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 172.4
[M+Na]+ 344.11182 178.5
[M-H]- 320.11532 178.2
[M+NH4]+ 339.15642 181.4
[M+K]+ 360.08576 172.8
[M+H-H2O]+ 304.11986 161.7
[M+HCOO]- 366.12080 194.9
[M+CH3COO]- 380.13645 181.9
[M+Na-2H]- 342.09727 178.8
[M]+ 321.12205 168.9
[M]- 321.12315 168.9
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