CID 135509505

2-{(2e)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl}-6-methylpyrimidin-4(3h)-one

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C16H14N4O2/c1-10-8-15(22)19-16(18-10)20-17-9-13-12-5-3-2-4-11(12)6-7-14(13)21/h2-9,21H,1H3,(H2,18,19,20,22)/b17-9+
InChIKey
RSCIHAAMIYYCJP-RQZCQDPDSA-N
Compound name
2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 166.5
[M+Na]+ 317.10088 175.7
[M-H]- 293.10438 170.9
[M+NH4]+ 312.14548 179.1
[M+K]+ 333.07482 169.2
[M+H-H2O]+ 277.10892 157.0
[M+HCOO]- 339.10986 188.6
[M+CH3COO]- 353.12551 177.4
[M+Na-2H]- 315.08633 174.6
[M]+ 294.11111 165.8
[M]- 294.11221 165.8
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.