CID 19033

Brn 1438037

Structural Information

Molecular Formula
C24H25NO
SMILES
C1CN(CC2=CC=CC=C21)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H25NO/c26-24(22-11-3-1-4-12-22,23-13-5-2-6-14-23)16-18-25-17-15-20-9-7-8-10-21(20)19-25/h1-14,26H,15-19H2
InChIKey
SDPSRPNMQPHIRJ-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20088 184.8
[M+Na]+ 366.18282 188.3
[M-H]- 342.18632 190.8
[M+NH4]+ 361.22742 195.7
[M+K]+ 382.15676 181.1
[M+H-H2O]+ 326.19086 174.1
[M+HCOO]- 388.19180 199.4
[M+CH3COO]- 402.20745 192.8
[M+Na-2H]- 364.16827 190.4
[M]+ 343.19305 180.0
[M]- 343.19415 180.0
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

No patent data available for this compound.