CID 26377

Leiopyrrole

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCN(CC)CCOC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)C
InChI
InChI=1S/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3
InChIKey
DQIUUHJEYNMMLD-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

605
Patents

348.22015 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 187.8
[M+Na]+ 371.209368 193.5
[M-H]- 347.212874 197.2
[M+NH4]+ 366.253973 201.5
[M+K]+ 387.183308 188.7
[M+H-H2O]+ 331.217410 177.3
[M+HCOO]- 393.218351 211.6
[M+CH3COO]- 407.234001 220.8
[M+Na-2H]- 369.194816 188.2
[M]+ 348.21960142 191.6
[M]- 348.22069858 191.6
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

patents stripe