CID 5491458

Fox-988

Structural Information

Molecular Formula
C25H29NO5
SMILES
CC(C)(C)C(=O)C1=CC=C(C=C1)/C(=N\OC)/OC(=O)C2=CC=C(C=C2)C(=O)C(C)(C)C
InChI
InChI=1S/C25H29NO5/c1-24(2,3)20(27)16-8-12-18(13-9-16)22(26-30-7)31-23(29)19-14-10-17(11-15-19)21(28)25(4,5)6/h8-15H,1-7H3/b26-22+
InChIKey
YXIAKADBIZQTQI-XTCLZLMSSA-N
Compound name
[(E)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

423.20456 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.21184 200.2
[M+Na]+ 446.19378 204.0
[M-H]- 422.19728 207.7
[M+NH4]+ 441.23838 210.3
[M+K]+ 462.16772 203.1
[M+H-H2O]+ 406.20182 192.0
[M+HCOO]- 468.20276 218.1
[M+CH3COO]- 482.21841 232.5
[M+Na-2H]- 444.17923 200.2
[M]+ 423.20401 205.7
[M]- 423.20511 205.7
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.