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]+ 254.10364 156.9
[M+Na]+ 276.08558 167.4
[M-H]- 252.08908 159.9
[M+NH4]+ 271.13018 169.7
[M+K]+ 292.05952 160.7
[M+H-H2O]+ 236.09362 147.5
[M+HCOO]- 298.09456 177.6
[M+CH3COO]- 312.11021 168.2
[M+Na-2H]- 274.07103 165.6
[M]+ 253.09581 154.2
[M]- 253.09691 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.