CID 455266

Tgg-ii-23b

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1(COC(=N1)C2(C3=CC=CC=C3C(=C)C=C2OC)C)C
InChI
InChI=1S/C18H21NO2/c1-12-10-15(20-5)18(4,14-9-7-6-8-13(12)14)16-19-17(2,3)11-21-16/h6-10H,1,11H2,2-5H3
InChIKey
UCMYCVHAGGZMHM-UHFFFAOYSA-N
Compound name
2-(2-methoxy-1-methyl-4-methylidenenaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 164.2
[M+Na]+ 306.14645 174.7
[M-H]- 282.14995 172.0
[M+NH4]+ 301.19105 184.9
[M+K]+ 322.12039 171.4
[M+H-H2O]+ 266.15449 157.4
[M+HCOO]- 328.15543 183.5
[M+CH3COO]- 342.17108 177.3
[M+Na-2H]- 304.13190 168.9
[M]+ 283.15668 167.0
[M]- 283.15778 167.0
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.