CID 3018047

Einecs 274-969-5

Structural Information

Molecular Formula
C18H18N6O4
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)C
InChI
InChI=1S/C18H18N6O4/c1-4-22(5-2)14-6-7-16(12(3)8-14)20-21-18-13(11-19)9-15(23(25)26)10-17(18)24(27)28/h6-10H,4-5H2,1-3H3
InChIKey
OJNGWWKPTBFTPN-UHFFFAOYSA-N
Compound name
2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-3,5-dinitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.13895 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.146226 200.8
[M+Na]+ 405.128168 205.9
[M-H]- 381.131674 208.1
[M+NH4]+ 400.172773 209.3
[M+K]+ 421.102108 196.4
[M+H-H2O]+ 365.136210 191.9
[M+HCOO]- 427.137151 225.0
[M+CH3COO]- 441.152801 232.7
[M+Na-2H]- 403.113616 204.3
[M]+ 382.13840142 195.6
[M]- 382.13949858 195.6
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

patents stripe