CID 249363

6967-77-7

Structural Information

Molecular Formula
C18H14N6O2
SMILES
C1=CC(=CC=C1C2=NC3=C(N=C(N=C3N=C2C4=CC=C(C=C4)O)N)N)O
InChI
InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-3-7-12(26)8-4-10)13(21-15)9-1-5-11(25)6-2-9/h1-8,25-26H,(H4,19,20,22,23,24)
InChIKey
OQWMHOAPOCKKHC-UHFFFAOYSA-N
Compound name
4-[2,4-diamino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.11783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12511 184.4
[M+Na]+ 369.10705 194.7
[M-H]- 345.11055 187.9
[M+NH4]+ 364.15165 190.8
[M+K]+ 385.08099 186.3
[M+H-H2O]+ 329.11509 173.1
[M+HCOO]- 391.11603 200.9
[M+CH3COO]- 405.13168 193.0
[M+Na-2H]- 367.09250 190.3
[M]+ 346.11728 181.6
[M]- 346.11838 181.6
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.