CID 85971932

Dtxsid501027836

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC1=C(C(=NC(=N1)NC2=CC=CC=C2)C3CC3)O
InChI
InChI=1S/C14H15N3O/c1-9-13(18)12(10-7-8-10)17-14(15-9)16-11-5-3-2-4-6-11/h2-6,10,18H,7-8H2,1H3,(H,15,16,17)
InChIKey
XEFZMEARAKSJMJ-UHFFFAOYSA-N
Compound name
2-anilino-4-cyclopropyl-6-methylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 156.7
[M+Na]+ 264.110718 166.7
[M-H]- 240.114224 163.5
[M+NH4]+ 259.155323 166.1
[M+K]+ 280.084658 160.7
[M+H-H2O]+ 224.118760 147.8
[M+HCOO]- 286.119701 179.0
[M+CH3COO]- 300.135351 168.1
[M+Na-2H]- 262.096166 162.8
[M]+ 241.12095142 157.8
[M]- 241.12204858 157.8
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

No patent data available for this compound.