CID 5245203

Poloxin

Structural Information

Molecular Formula
C18H19NO3
SMILES
CC1=CC=CC=C1C(=O)ON=C2C=C(C(=O)C=C2C)C(C)C
InChI
InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3
InChIKey
CMOJHDQJJPIVEC-UHFFFAOYSA-N
Compound name
[(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

63
Patents

297.1365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 169.7
[M+Na]+ 320.12572 182.7
[M+NH4]+ 315.17032 176.7
[M+K]+ 336.09966 176.1
[M-H]- 296.12922 173.8
[M+Na-2H]- 318.11117 176.6
[M]+ 297.13595 172.6
[M]- 297.13705 172.6
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

patents stripe