CID 3021794

1h-pyrrole, 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydro-2-naphthalenyl)-

Structural Information

Molecular Formula
C21H21N
SMILES
CC1=CC=C(N1C2=CC=CC=C2)C3=CC4=C(CCCC4)C=C3
InChI
InChI=1S/C21H21N/c1-16-11-14-21(22(16)20-9-3-2-4-10-20)19-13-12-17-7-5-6-8-18(17)15-19/h2-4,9-15H,5-8H2,1H3
InChIKey
ZTYZTEDUJVTPID-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1674 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 169.6
[M+Na]+ 310.15662 176.6
[M-H]- 286.16012 178.4
[M+NH4]+ 305.20122 186.3
[M+K]+ 326.13056 169.9
[M+H-H2O]+ 270.16466 160.1
[M+HCOO]- 332.16560 189.2
[M+CH3COO]- 346.18125 180.8
[M+Na-2H]- 308.14207 171.9
[M]+ 287.16685 166.6
[M]- 287.16795 166.6
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.