CID 5388018

Nsc630888

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=N/C(=C\C2=CC=CC3=CC=CC=C32)/C(=O)O1
InChI
InChI=1S/C15H11NO2/c1-10-16-14(15(17)18-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3/b14-9-
InChIKey
SOZGZXBLNWADNY-ZROIWOOFSA-N
Compound name
(4Z)-2-methyl-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07898 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 151.3
[M+Na]+ 260.06820 161.4
[M-H]- 236.07170 158.8
[M+NH4]+ 255.11280 169.4
[M+K]+ 276.04214 157.6
[M+H-H2O]+ 220.07624 144.1
[M+HCOO]- 282.07718 173.2
[M+CH3COO]- 296.09283 164.9
[M+Na-2H]- 258.05365 156.7
[M]+ 237.07843 152.5
[M]- 237.07953 152.5
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.