CID 3020191

Einecs 284-395-7

Structural Information

Molecular Formula
C19H18N6O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C
InChI
InChI=1S/C19H18N6O2/c1-4-24(5-2)16-6-7-18(13(3)8-16)22-23-19-14(11-20)9-17(25(26)27)10-15(19)12-21/h6-10H,4-5H2,1-3H3
InChIKey
HCOYTIPJLYJCDR-UHFFFAOYSA-N
Compound name
2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

362.1491 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15638 198.5
[M+Na]+ 385.13832 205.8
[M-H]- 361.14182 204.1
[M+NH4]+ 380.18292 205.9
[M+K]+ 401.11226 199.6
[M+H-H2O]+ 345.14636 183.1
[M+HCOO]- 407.14730 213.8
[M+CH3COO]- 421.16295 244.1
[M+Na-2H]- 383.12377 197.6
[M]+ 362.14855 191.1
[M]- 362.14965 191.1
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