CID 214359

Pyrophenindane

Structural Information

Molecular Formula
C21H25N
SMILES
CN1CCC(C1)CC2CC(C3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C21H25N/c1-22-12-11-16(15-22)13-18-14-21(17-7-3-2-4-8-17)20-10-6-5-9-19(18)20/h2-10,16,18,21H,11-15H2,1H3
InChIKey
AMYOGBYNKSSTIB-UHFFFAOYSA-N
Compound name
1-methyl-3-[(3-phenyl-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

291.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 172.5
[M+Na]+ 314.18792 178.4
[M-H]- 290.19142 181.3
[M+NH4]+ 309.23252 191.0
[M+K]+ 330.16186 172.3
[M+H-H2O]+ 274.19596 164.0
[M+HCOO]- 336.19690 191.7
[M+CH3COO]- 350.21255 183.4
[M+Na-2H]- 312.17337 170.9
[M]+ 291.19815 169.1
[M]- 291.19925 169.1
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

No patent data available for this compound.