CID 342203

Nsc377855

Structural Information

Molecular Formula
C28H26N2O2
SMILES
C1CCC(CC1)C2=CC3=C(C=C2)N=C(C=C3NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6
InChI
InChI=1S/C28H26N2O2/c1-3-7-19(8-4-1)21-11-13-24-23(15-21)26(17-25(30-24)20-9-5-2-6-10-20)29-22-12-14-27-28(16-22)32-18-31-27/h2,5-6,9-17,19H,1,3-4,7-8,18H2,(H,29,30)
InChIKey
QZUUGTOVWGFKHF-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-6-cyclohexyl-2-phenylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.19943 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20671 200.2
[M+Na]+ 445.18865 204.6
[M-H]- 421.19215 212.9
[M+NH4]+ 440.23325 208.1
[M+K]+ 461.16259 199.3
[M+H-H2O]+ 405.19669 188.3
[M+HCOO]- 467.19763 214.5
[M+CH3COO]- 481.21328 208.1
[M+Na-2H]- 443.17410 202.2
[M]+ 422.19888 196.2
[M]- 422.19998 196.2
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.