CID 20157

Brn 1435688

Structural Information

Molecular Formula
C24H23N
SMILES
C1CN(CC2=CC=CC=C21)CC=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H23N/c1-3-10-21(11-4-1)24(22-12-5-2-6-13-22)16-18-25-17-15-20-9-7-8-14-23(20)19-25/h1-14,16H,15,17-19H2
InChIKey
BFQQRYHBRUGHPY-UHFFFAOYSA-N
Compound name
2-(3,3-diphenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.18304 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19032 180.6
[M+Na]+ 348.17226 184.2
[M-H]- 324.17576 187.7
[M+NH4]+ 343.21686 192.7
[M+K]+ 364.14620 176.5
[M+H-H2O]+ 308.18030 169.3
[M+HCOO]- 370.18124 197.3
[M+CH3COO]- 384.19689 189.1
[M+Na-2H]- 346.15771 184.6
[M]+ 325.18249 175.2
[M]- 325.18359 175.2
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

patents stripe