CID 135411226

Nsc698036

Structural Information

Molecular Formula
C16H14N4O
SMILES
CC1=C(N=C(N=N1)N)/C=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C16H14N4O/c1-10-14(18-16(17)20-19-10)8-7-13-12-5-3-2-4-11(12)6-9-15(13)21/h2-9,21H,1H3,(H2,17,18,20)/b8-7+
InChIKey
RNOYWVKBBRCCNT-BQYQJAHWSA-N
Compound name
1-[(E)-2-(3-amino-6-methyl-1,2,4-triazin-5-yl)ethenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.11676 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 167.2
[M+Na]+ 301.10598 177.2
[M-H]- 277.10948 169.7
[M+NH4]+ 296.15058 179.3
[M+K]+ 317.07992 169.9
[M+H-H2O]+ 261.11402 157.4
[M+HCOO]- 323.11496 185.8
[M+CH3COO]- 337.13061 177.7
[M+Na-2H]- 299.09143 173.5
[M]+ 278.11621 165.9
[M]- 278.11731 165.9
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.