CID 31740

Pridefine

Structural Information

Molecular Formula
C19H21N
SMILES
CCN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1
InChI
InChI=1S/C19H21N/c1-2-20-14-13-18(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKey
BJUHVJHOJBHLJS-UHFFFAOYSA-N
Compound name
3-benzhydrylidene-1-ethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

349
Patents

263.1674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 164.4
[M+Na]+ 286.15662 169.1
[M-H]- 262.16012 171.8
[M+NH4]+ 281.20122 180.7
[M+K]+ 302.13056 163.6
[M+H-H2O]+ 246.16466 155.3
[M+HCOO]- 308.16560 184.3
[M+CH3COO]- 322.18125 175.2
[M+Na-2H]- 284.14207 165.4
[M]+ 263.16685 160.0
[M]- 263.16795 160.0
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.