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]+ 361.150646 179.5
[M+Na]+ 383.132588 183.9
[M-H]- 359.136094 186.5
[M+NH4]+ 378.177193 198.3
[M+K]+ 399.106528 173.2
[M+H-H2O]+ 343.140630 183.1
[M+HCOO]- 405.141571 203.8
[M+CH3COO]- 419.157221 210.5
[M+Na-2H]- 381.118036 187.8
[M]+ 360.14282142 177.2
[M]- 360.14391858 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.