CID 3065626

108446-05-5

Structural Information

Molecular Formula
C24H25N3O4
SMILES
CC1COC2=CC3=C(C=C2C4=CC(=NC5=C(C=C(C=C5C)C)C)N(C(=O)N14)C)OCO3
InChI
InChI=1S/C24H25N3O4/c1-13-6-14(2)23(15(3)7-13)25-22-9-18-17-8-20-21(31-12-30-20)10-19(17)29-11-16(4)27(18)24(28)26(22)5/h6-10,16H,11-12H2,1-5H3
InChIKey
VMWUTRKVQWRSSA-UHFFFAOYSA-N
Compound name
5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-10,14,16-trioxa-5,7-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2,11,13(17)-tetraen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1845 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19178 212.2
[M+Na]+ 442.17372 226.5
[M+NH4]+ 437.21832 218.3
[M+K]+ 458.14766 221.8
[M-H]- 418.17722 220.1
[M+Na-2H]- 440.15917 213.6
[M]+ 419.18395 216.8
[M]- 419.18505 216.8
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.