CID 487357

364043-77-6

Structural Information

Molecular Formula
C18H13N3O
SMILES
CC1=CC2=NC(=C(N2C=C1)N=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H13N3O/c1-12-8-9-21-16(10-12)19-17(18(21)20-22)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3
InChIKey
WKFMQFSCDPRVJE-UHFFFAOYSA-N
Compound name
7-methyl-2-naphthalen-2-yl-3-nitrosoimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.10587 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11315 165.3
[M+Na]+ 310.09509 177.3
[M-H]- 286.09859 173.8
[M+NH4]+ 305.13969 182.7
[M+K]+ 326.06903 171.3
[M+H-H2O]+ 270.10313 155.6
[M+HCOO]- 332.10407 190.2
[M+CH3COO]- 346.11972 178.6
[M+Na-2H]- 308.08054 173.3
[M]+ 287.10532 169.8
[M]- 287.10642 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.