CID 4245355

167482-98-6

Structural Information

Molecular Formula
C19H22N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3
InChI
InChI=1S/C19H22N2/c1-19(2,3)15-10-8-14(9-11-15)18(16-6-4-12-20-16)17-7-5-13-21-17/h4-13,18,20-21H,1-3H3
InChIKey
SLPZWMKFAWAFSE-UHFFFAOYSA-N
Compound name
2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

278.17828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 168.2
[M+Na]+ 301.16750 181.0
[M+NH4]+ 296.21210 176.0
[M+K]+ 317.14144 177.7
[M-H]- 277.17100 171.9
[M+Na-2H]- 299.15295 177.2
[M]+ 278.17773 171.1
[M]- 278.17883 171.1
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

patents stripe