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]+ 322.15502 185.8
[M+Na]+ 344.13696 193.1
[M-H]- 320.14046 191.6
[M+NH4]+ 339.18156 197.7
[M+K]+ 360.11090 183.9
[M+H-H2O]+ 304.14500 174.6
[M+HCOO]- 366.14594 206.6
[M+CH3COO]- 380.16159 219.0
[M+Na-2H]- 342.12241 187.9
[M]+ 321.14719 180.5
[M]- 321.14829 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.