CID 7131522

1-[(2,3-dimethoxyphenyl)methyl]-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C12H15N3O2
SMILES
COC1=CC=CC(=C1OC)CN2C(=CC=N2)N
InChI
InChI=1S/C12H15N3O2/c1-16-10-5-3-4-9(12(10)17-2)8-15-11(13)6-7-14-15/h3-7H,8,13H2,1-2H3
InChIKey
OJJQUTVDOFJYOD-UHFFFAOYSA-N
Compound name
2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.1
[M+Na]+ 256.10564 160.3
[M-H]- 232.10914 155.5
[M+NH4]+ 251.15024 167.9
[M+K]+ 272.07958 157.4
[M+H-H2O]+ 216.11368 142.7
[M+HCOO]- 278.11462 175.2
[M+CH3COO]- 292.13027 193.0
[M+Na-2H]- 254.09109 155.0
[M]+ 233.11587 153.6
[M]- 233.11697 153.6
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