CID 4962730

1-(2,3,4-trimethoxybenzyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C13H17N3O3
SMILES
COC1=C(C(=C(C=C1)CN2C(=CC=N2)N)OC)OC
InChI
InChI=1S/C13H17N3O3/c1-17-10-5-4-9(12(18-2)13(10)19-3)8-16-11(14)6-7-15-16/h4-7H,8,14H2,1-3H3
InChIKey
VPXMFSXEMSCXQE-UHFFFAOYSA-N
Compound name
2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

263.12698 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 158.6
[M+Na]+ 286.11620 168.0
[M-H]- 262.11970 163.2
[M+NH4]+ 281.16080 174.4
[M+K]+ 302.09014 165.6
[M+H-H2O]+ 246.12424 150.0
[M+HCOO]- 308.12518 182.5
[M+CH3COO]- 322.14083 199.4
[M+Na-2H]- 284.10165 161.3
[M]+ 263.12643 163.3
[M]- 263.12753 163.3
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.