CID 5853597

3-(2,4-dinitrophenylhydrazonomethyl)camphor

Structural Information

Molecular Formula
C17H20N4O5
SMILES
CC1(C2CCC1(C(=O)C2/C=N\NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)C
InChI
InChI=1S/C17H20N4O5/c1-16(2)12-6-7-17(16,3)15(22)11(12)9-18-19-13-5-4-10(20(23)24)8-14(13)21(25)26/h4-5,8-9,11-12,19H,6-7H2,1-3H3/b18-9-
InChIKey
YVWBACPZDDNQBJ-NVMNQCDNSA-N
Compound name
3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.14337 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15065 179.5
[M+Na]+ 383.13259 183.9
[M-H]- 359.13609 186.5
[M+NH4]+ 378.17719 198.3
[M+K]+ 399.10653 173.2
[M+H-H2O]+ 343.14063 183.1
[M+HCOO]- 405.14157 203.8
[M+CH3COO]- 419.15722 210.5
[M+Na-2H]- 381.11804 187.8
[M]+ 360.14282 177.2
[M]- 360.14392 177.2
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.