CID 512942

2-[(3-amino-2,4,5-triphenyl-pyrrol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C25H24N2O2
SMILES
C1=CC=C(C=C1)C2=C(N(C(=C2N)C3=CC=CC=C3)COCCO)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O2/c26-23-22(19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)27(18-29-17-16-28)25(23)21-14-8-3-9-15-21/h1-15,28H,16-18,26H2
InChIKey
GLDAOPOOIDBIRL-UHFFFAOYSA-N
Compound name
2-[(3-amino-2,4,5-triphenylpyrrol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.18378 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 193.7
[M+Na]+ 407.17300 199.9
[M-H]- 383.17650 203.5
[M+NH4]+ 402.21760 203.8
[M+K]+ 423.14694 192.4
[M+H-H2O]+ 367.18104 182.8
[M+HCOO]- 429.18198 215.5
[M+CH3COO]- 443.19763 203.0
[M+Na-2H]- 405.15845 194.2
[M]+ 384.18323 193.3
[M]- 384.18433 193.3
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.