CID 3021410

Brn 5763587

Structural Information

Molecular Formula
C30H31N
SMILES
CC1=C(CCN(C1C2=CC=CC=C2)C(CCCC3=CC=CC=C3)C#C)C4=CC=CC=C4
InChI
InChI=1S/C30H31N/c1-3-28(21-13-16-25-14-7-4-8-15-25)31-23-22-29(26-17-9-5-10-18-26)24(2)30(31)27-19-11-6-12-20-27/h1,4-12,14-15,17-20,28,30H,13,16,21-23H2,2H3
InChIKey
SWYLWHLWUWCGKW-UHFFFAOYSA-N
Compound name
5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.24564 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.25292 207.3
[M+Na]+ 428.23486 213.7
[M-H]- 404.23836 212.5
[M+NH4]+ 423.27946 213.8
[M+K]+ 444.20880 201.0
[M+H-H2O]+ 388.24290 189.2
[M+HCOO]- 450.24384 217.6
[M+CH3COO]- 464.25949 212.4
[M+Na-2H]- 426.22031 204.5
[M]+ 405.24509 197.8
[M]- 405.24619 197.8
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.