CID 86054

16699-10-8

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

1
Patents

289.12152 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.128796 166.4
[M+Na]+ 312.110738 173.9
[M-H]- 288.114244 175.1
[M+NH4]+ 307.155343 181.9
[M+K]+ 328.084678 169.6
[M+H-H2O]+ 272.118780 156.2
[M+HCOO]- 334.119721 192.4
[M+CH3COO]- 348.135371 212.1
[M+Na-2H]- 310.096186 174.8
[M]+ 289.12097142 168.4
[M]- 289.12206858 168.4
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

patents stripe