CID 9613592

Poloxin

Structural Information

Molecular Formula
C18H19NO3
SMILES
CC1=CC=CC=C1C(=O)O/N=C\2/C=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/b19-16-
InChIKey
CMOJHDQJJPIVEC-MNDPQUGUSA-N
Compound name
[(Z)-(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

15
References

0
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 168.1
[M+Na]+ 320.12572 175.5
[M-H]- 296.12922 176.6
[M+NH4]+ 315.17032 184.1
[M+K]+ 336.09966 172.9
[M+H-H2O]+ 280.13376 160.2
[M+HCOO]- 342.13470 191.5
[M+CH3COO]- 356.15035 210.7
[M+Na-2H]- 318.11117 168.9
[M]+ 297.13595 170.8
[M]- 297.13705 170.8
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.