CID 455267

Tgg-ii-39

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1(COC(=N1)C2(C=CCC3=CC=CC=C32)C)C
InChI
InChI=1S/C16H19NO/c1-15(2)11-18-14(17-15)16(3)10-6-8-12-7-4-5-9-13(12)16/h4-7,9-10H,8,11H2,1-3H3
InChIKey
LFIGLXFBNILORD-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 154.6
[M+Na]+ 264.13589 163.9
[M-H]- 240.13939 161.9
[M+NH4]+ 259.18049 176.5
[M+K]+ 280.10983 161.0
[M+H-H2O]+ 224.14393 147.5
[M+HCOO]- 286.14487 174.2
[M+CH3COO]- 300.16052 167.8
[M+Na-2H]- 262.12134 161.2
[M]+ 241.14612 155.0
[M]- 241.14722 155.0
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.