CID 111743

2-naphthalenol, 8-(4-amino-2-imino-1,3,5-triazin-1(2h)-yl)-, monohydrochloride

Structural Information

Molecular Formula
C13H11N5O
SMILES
C1=CC2=C(C=C(C=C2)O)C(=C1)N3C=NC(=NC3=N)N
InChI
InChI=1S/C13H11N5O/c14-12-16-7-18(13(15)17-12)11-3-1-2-8-4-5-9(19)6-10(8)11/h1-7,19H,(H3,14,15,17)
InChIKey
KBBSAJJOGGXYQZ-UHFFFAOYSA-N
Compound name
8-(4-amino-2-imino-1,3,5-triazin-1-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.103636 156.9
[M+Na]+ 276.085578 167.4
[M-H]- 252.089084 159.9
[M+NH4]+ 271.130183 169.7
[M+K]+ 292.059518 160.7
[M+H-H2O]+ 236.093620 147.5
[M+HCOO]- 298.094561 177.6
[M+CH3COO]- 312.110211 168.2
[M+Na-2H]- 274.071026 165.6
[M]+ 253.09581142 154.2
[M]- 253.09690858 154.2
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.