CID 88858

Solvent red 149

Structural Information

Molecular Formula
C23H22N2O2
SMILES
CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NC5CCCCC5
InChI
InChI=1S/C23H22N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h5-6,9-14,24H,2-4,7-8H2,1H3
InChIKey
JZGUXCXDBKBCDN-UHFFFAOYSA-N
Compound name
10-(cyclohexylamino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1097
Patents

358.16812 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17540 185.5
[M+Na]+ 381.15734 201.6
[M+NH4]+ 376.20194 195.2
[M+K]+ 397.13128 191.4
[M-H]- 357.16084 191.9
[M+Na-2H]- 379.14279 191.6
[M]+ 358.16757 189.8
[M]- 358.16867 189.8
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

patents stripe