CID 3154154

956353-25-6

Structural Information

Molecular Formula
C12H15N3O2
SMILES
COC1=C(C=C(C=C1)CN2C(=CC=N2)N)OC
InChI
InChI=1S/C12H15N3O2/c1-16-10-4-3-9(7-11(10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3
InChIKey
DZRCUBRTSCVVQJ-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 151.1
[M+Na]+ 256.105638 160.3
[M-H]- 232.109144 155.5
[M+NH4]+ 251.150243 167.9
[M+K]+ 272.079578 157.4
[M+H-H2O]+ 216.113680 142.7
[M+HCOO]- 278.114621 175.2
[M+CH3COO]- 292.130271 193.0
[M+Na-2H]- 254.091086 155.0
[M]+ 233.11587142 153.6
[M]- 233.11696858 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