CID 5716455

Ccg-47824

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C19H19N3O2/c1-3-21(4-2)18-10-6-15(7-11-18)5-8-16-9-12-19(22(23)24)13-17(16)14-20/h5-13H,3-4H2,1-2H3/b8-5+
InChIKey
IIVJPUYMNRMMPU-VMPITWQZSA-N
Compound name
2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 185.8
[M+Na]+ 344.136958 193.1
[M-H]- 320.140464 191.6
[M+NH4]+ 339.181563 197.7
[M+K]+ 360.110898 183.9
[M+H-H2O]+ 304.145000 174.6
[M+HCOO]- 366.145941 206.6
[M+CH3COO]- 380.161591 219.0
[M+Na-2H]- 342.122406 187.9
[M]+ 321.14719142 180.5
[M]- 321.14828858 180.5
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.