CID 4962730

956780-52-2

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]+ 264.134256 158.6
[M+Na]+ 286.116198 168.0
[M-H]- 262.119704 163.2
[M+NH4]+ 281.160803 174.4
[M+K]+ 302.090138 165.6
[M+H-H2O]+ 246.124240 150.0
[M+HCOO]- 308.125181 182.5
[M+CH3COO]- 322.140831 199.4
[M+Na-2H]- 284.101646 161.3
[M]+ 263.12643142 163.3
[M]- 263.12752858 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

patents stripe