CID 45050923

853310-89-1

Structural Information

Molecular Formula
C23H22N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4C=CC=C4
InChI
InChI=1S/C23H22N2/c1-23(2,3)18-12-10-17(11-13-18)21-16-22(25-14-6-7-15-25)19-8-4-5-9-20(19)24-21/h4-16H,1-3H3
InChIKey
HVBHVQFYNAMMKM-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-pyrrol-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.17828 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18556 182.3
[M+Na]+ 349.16750 191.9
[M-H]- 325.17100 190.9
[M+NH4]+ 344.21210 196.4
[M+K]+ 365.14144 184.5
[M+H-H2O]+ 309.17554 172.2
[M+HCOO]- 371.17648 202.4
[M+CH3COO]- 385.19213 193.5
[M+Na-2H]- 347.15295 187.2
[M]+ 326.17773 184.1
[M]- 326.17883 184.1
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

No patent data available for this compound.