CID 6474273

Rti1083-2-1

Structural Information

Molecular Formula
C23H33N3O
SMILES
CC(CCCN)NC1=CC(=CC2=C(C=CN=C12)/C=C\C3CCCCC3)OC
InChI
InChI=1S/C23H33N3O/c1-17(7-6-13-24)26-22-16-20(27-2)15-21-19(12-14-25-23(21)22)11-10-18-8-4-3-5-9-18/h10-12,14-18,26H,3-9,13,24H2,1-2H3/b11-10-
InChIKey
ZLGJEKZBEBWUKB-KHPPLWFESA-N
Compound name
4-N-[4-[(Z)-2-cyclohexylethenyl]-6-methoxyquinolin-8-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.26236 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26964 193.0
[M+Na]+ 390.25158 194.9
[M-H]- 366.25508 196.6
[M+NH4]+ 385.29618 203.8
[M+K]+ 406.22552 188.9
[M+H-H2O]+ 350.25962 182.7
[M+HCOO]- 412.26056 209.1
[M+CH3COO]- 426.27621 224.6
[M+Na-2H]- 388.23703 193.2
[M]+ 367.26181 188.9
[M]- 367.26291 188.9
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.