CID 3057953

74303-06-3

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]+ 289.191056 170.6
[M+Na]+ 311.172998 174.9
[M-H]- 287.176504 172.9
[M+NH4]+ 306.217603 184.8
[M+K]+ 327.146938 170.8
[M+H-H2O]+ 271.181040 163.0
[M+HCOO]- 333.181981 189.3
[M+CH3COO]- 347.197631 199.2
[M+Na-2H]- 309.158446 173.1
[M]+ 288.18323142 169.6
[M]- 288.18432858 169.6
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