CID 71312561

(1z)-3,4,5,6,7,8-hexadeuterio-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one

Structural Information

Molecular Formula
C18H16N2O
SMILES
[2H]C1=C(C(=C\2C(=C1[2H])C(=C(C(=O)/C2=N\NC3=C(C=C(C=C3)C)C)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-/i3D,4D,5D,6D,8D,10D
InChIKey
YPXOPAFVVHXQDP-JLLLBRFJSA-N
Compound name
(1Z)-3,4,5,6,7,8-hexadeuterio-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1639 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.17118 171.4
[M+Na]+ 305.15312 182.3
[M-H]- 281.15662 181.3
[M+NH4]+ 300.19772 189.4
[M+K]+ 321.12706 176.7
[M+H-H2O]+ 265.16116 161.6
[M+HCOO]- 327.16210 197.6
[M+CH3COO]- 341.17775 217.3
[M+Na-2H]- 303.13857 174.8
[M]+ 282.16335 175.0
[M]- 282.16445 175.0
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.