CID 212881

25297-79-4

Structural Information

Molecular Formula
C26H23ClN2O
SMILES
CC1C2=C(CCN1CC3=CC(=C4C=CC=NC4=C3O)Cl)C=CC(=C2)C5=CC=CC=C5
InChI
InChI=1S/C26H23ClN2O/c1-17-23-14-20(18-6-3-2-4-7-18)10-9-19(23)11-13-29(17)16-21-15-24(27)22-8-5-12-28-25(22)26(21)30/h2-10,12,14-15,17,30H,11,13,16H2,1H3
InChIKey
VCKCSUDUKVCFAG-UHFFFAOYSA-N
Compound name
5-chloro-7-[(1-methyl-7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1499 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15718 203.3
[M+Na]+ 437.13912 211.9
[M-H]- 413.14262 209.8
[M+NH4]+ 432.18372 212.7
[M+K]+ 453.11306 202.0
[M+H-H2O]+ 397.14716 191.0
[M+HCOO]- 459.14810 212.1
[M+CH3COO]- 473.16375 211.0
[M+Na-2H]- 435.12457 205.5
[M]+ 414.14935 203.1
[M]- 414.15045 203.1
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