CID 135491481

5-methoxy-2-(3-pyrrolidin-1-ylisoxazol-5-yl)phenol

Structural Information

Molecular Formula
C14H16N2O3
SMILES
COC1=CC(=C(C=C1)C2=CC(=NO2)N3CCCC3)O
InChI
InChI=1S/C14H16N2O3/c1-18-10-4-5-11(12(17)8-10)13-9-14(15-19-13)16-6-2-3-7-16/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKey
BHUMZOJDZNWXKF-UHFFFAOYSA-N
Compound name
5-methoxy-2-(3-pyrrolidin-1-yl-1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 156.7
[M+Na]+ 283.10532 164.5
[M-H]- 259.10882 163.8
[M+NH4]+ 278.14992 172.1
[M+K]+ 299.07926 162.4
[M+H-H2O]+ 243.11336 148.8
[M+HCOO]- 305.11430 176.8
[M+CH3COO]- 319.12995 168.9
[M+Na-2H]- 281.09077 157.8
[M]+ 260.11555 157.2
[M]- 260.11665 157.2
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

No patent data available for this compound.