CID 88858

21295-57-8

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

1098
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 184.5
[M+Na]+ 381.15734 191.4
[M-H]- 357.16084 190.8
[M+NH4]+ 376.20194 198.4
[M+K]+ 397.13128 184.5
[M+H-H2O]+ 341.16538 173.5
[M+HCOO]- 403.16632 199.0
[M+CH3COO]- 417.18197 193.5
[M+Na-2H]- 379.14279 189.2
[M]+ 358.16757 182.0
[M]- 358.16867 182.0
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