CID 366556

Nsc635182

Structural Information

Molecular Formula
C20H23N3O5
SMILES
CC(C)(C)C1=CC(=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C20H23N3O5/c1-19(2,3)14-9-12(10-15(18(14)24)20(4,5)6)21-16-8-7-13(22(25)26)11-17(16)23(27)28/h7-11H,1-6H3
InChIKey
HMQFTHWETYLLFC-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2,4-dinitrophenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16376 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 190.1
[M+Na]+ 408.15298 194.8
[M-H]- 384.15648 198.2
[M+NH4]+ 403.19758 200.5
[M+K]+ 424.12692 184.2
[M+H-H2O]+ 368.16102 191.3
[M+HCOO]- 430.16196 212.0
[M+CH3COO]- 444.17761 215.0
[M+Na-2H]- 406.13843 198.0
[M]+ 385.16321 188.6
[M]- 385.16431 188.6
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.