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]+ 288.174676 169.6
[M+Na]+ 310.156618 176.6
[M-H]- 286.160124 178.4
[M+NH4]+ 305.201223 186.3
[M+K]+ 326.130558 169.9
[M+H-H2O]+ 270.164660 160.1
[M+HCOO]- 332.165601 189.2
[M+CH3COO]- 346.181251 180.8
[M+Na-2H]- 308.142066 171.9
[M]+ 287.16685142 166.6
[M]- 287.16794858 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.