CID 4245355

5-(4-tert-butylphenyl)dipyrromethane

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

10
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 167.6
[M+Na]+ 301.16750 174.4
[M-H]- 277.17100 172.9
[M+NH4]+ 296.21210 183.0
[M+K]+ 317.14144 168.2
[M+H-H2O]+ 261.17554 159.6
[M+HCOO]- 323.17648 186.6
[M+CH3COO]- 337.19213 178.4
[M+Na-2H]- 299.15295 169.0
[M]+ 278.17773 165.6
[M]- 278.17883 165.6
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

patents stripe