CID 11291

Phenindamine

Structural Information

Molecular Formula
C19H19N
SMILES
CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
InChIKey
ISFHAYSTHMVOJR-UHFFFAOYSA-N
Compound name
2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

63
References

7486
Patents

261.15176 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.159036 161.7
[M+Na]+ 284.140978 169.6
[M-H]- 260.144484 168.6
[M+NH4]+ 279.185583 180.9
[M+K]+ 300.114918 163.2
[M+H-H2O]+ 244.149020 153.3
[M+HCOO]- 306.149961 180.5
[M+CH3COO]- 320.165611 173.5
[M+Na-2H]- 282.126426 165.7
[M]+ 261.15121142 159.4
[M]- 261.15230858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe