CID 135429324

Schembl6453926

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CC1=C(N=CC=C1)N2C=CC(=N2)C3=C(C(=C(C=C3)OC)OC)O
InChI
InChI=1S/C17H17N3O3/c1-11-5-4-9-18-17(11)20-10-8-13(19-20)12-6-7-14(22-2)16(23-3)15(12)21/h4-10,21H,1-3H3
InChIKey
KQTYPFGNRXDAEV-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6-[1-(3-methylpyridin-2-yl)pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.12698 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.3
[M+Na]+ 334.11620 182.6
[M-H]- 310.11970 178.2
[M+NH4]+ 329.16080 184.3
[M+K]+ 350.09014 177.8
[M+H-H2O]+ 294.12424 162.3
[M+HCOO]- 356.12518 192.8
[M+CH3COO]- 370.14083 204.5
[M+Na-2H]- 332.10165 174.3
[M]+ 311.12643 176.4
[M]- 311.12753 176.4
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