CID 5271602

2,4-bisanilinopyrimidine, 26

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC1=CN=C(N=C1NC2=CC=C(C=C2)O)NC3=CC=C(C=C3)O
InChI
InChI=1S/C17H16N4O2/c1-11-10-18-17(20-13-4-8-15(23)9-5-13)21-16(11)19-12-2-6-14(22)7-3-12/h2-10,22-23H,1H3,(H2,18,19,20,21)
InChIKey
HWFBYVWEGBFFIJ-UHFFFAOYSA-N
Compound name
4-[[2-(4-hydroxyanilino)-5-methylpyrimidin-4-yl]amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.12732 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 171.2
[M+Na]+ 331.11654 178.7
[M-H]- 307.12004 176.4
[M+NH4]+ 326.16114 181.1
[M+K]+ 347.09048 172.4
[M+H-H2O]+ 291.12458 160.9
[M+HCOO]- 353.12552 192.6
[M+CH3COO]- 367.14117 181.1
[M+Na-2H]- 329.10199 177.7
[M]+ 308.12677 169.1
[M]- 308.12787 169.1
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.