CID 3065632

108446-08-8

Structural Information

Molecular Formula
C26H25N3O
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=C(CCN3C(=O)N2C)C5=CC=CC=C5C=C4)C
InChI
InChI=1S/C26H25N3O/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4/h5-10,13-15H,11-12H2,1-4H3
InChIKey
AFQUGACYEVJNCX-UHFFFAOYSA-N
Compound name
5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19977 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20705 200.0
[M+Na]+ 418.18899 219.7
[M+NH4]+ 413.23359 209.4
[M+K]+ 434.16293 207.9
[M-H]- 394.19249 207.7
[M+Na-2H]- 416.17444 208.3
[M]+ 395.19922 205.5
[M]- 395.20032 205.5
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.