CID 3057953

2-(2-(3-tert-butylamino-2-hydroxypropoxy)-phenyl)-pyrrol-fumarat [german]

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C2=CC=CN2)O
InChI
InChI=1S/C17H24N2O2/c1-17(2,3)19-11-13(20)12-21-16-9-5-4-7-14(16)15-8-6-10-18-15/h4-10,13,18-20H,11-12H2,1-3H3
InChIKey
ZBDCIORMFGOYQY-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 171.0
[M+Na]+ 311.17300 180.3
[M+NH4]+ 306.21760 177.2
[M+K]+ 327.14694 176.9
[M-H]- 287.17650 172.6
[M+Na-2H]- 309.15845 176.5
[M]+ 288.18323 172.5
[M]- 288.18433 172.5
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