CID 3463485

2-{1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1h-pyrrol-3-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol

Structural Information

Molecular Formula
C17H18F6N2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C17H18F6N2O/c1-10-9-14(15(26,16(18,19)20)17(21,22)23)11(2)25(10)13-7-5-12(6-8-13)24(3)4/h5-9,26H,1-4H3
InChIKey
WOLOCDHBCUJFSH-UHFFFAOYSA-N
Compound name
2-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.13232 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13960 182.7
[M+Na]+ 403.12154 191.9
[M-H]- 379.12504 181.6
[M+NH4]+ 398.16614 195.3
[M+K]+ 419.09548 187.5
[M+H-H2O]+ 363.12958 171.2
[M+HCOO]- 425.13052 194.4
[M+CH3COO]- 439.14617 222.5
[M+Na-2H]- 401.10699 182.7
[M]+ 380.13177 176.7
[M]- 380.13287 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.