CID 86054

4-(4-n-methyl-n-nitrosaminostyryl)quinoline

Structural Information

Molecular Formula
C18H15N3O
SMILES
CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O
InChI
InChI=1S/C18H15N3O/c1-21(20-22)16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3
InChIKey
IJOCQJGYYDLLAT-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-(2-quinolin-4-ylethenyl)phenyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 167.2
[M+Na]+ 312.11074 182.6
[M+NH4]+ 307.15534 176.1
[M+K]+ 328.08468 173.3
[M-H]- 288.11424 173.9
[M+Na-2H]- 310.09619 178.0
[M]+ 289.12097 171.4
[M]- 289.12207 171.4
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.