CID 135886634

H2ptepas

Structural Information

Molecular Formula
C14H14N6O4
SMILES
C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC(=C(C=C3)C(=O)O)O
InChI
InChI=1S/C14H14N6O4/c15-14-19-11-10(12(22)20-14)18-7(5-17-11)4-16-6-1-2-8(13(23)24)9(21)3-6/h1-3,16,21H,4-5H2,(H,23,24)(H4,15,17,19,20,22)
InChIKey
GIQHIMWSWCCNJG-UHFFFAOYSA-N
Compound name
4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10767 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11495 175.3
[M+Na]+ 353.09689 183.0
[M-H]- 329.10039 173.1
[M+NH4]+ 348.14149 181.1
[M+K]+ 369.07083 176.2
[M+H-H2O]+ 313.10493 165.8
[M+HCOO]- 375.10587 188.0
[M+CH3COO]- 389.12152 207.2
[M+Na-2H]- 351.08234 179.7
[M]+ 330.10712 170.1
[M]- 330.10822 170.1
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.