CID 23377749

1355602-25-3

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=NN(C(=C1)N)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C12H15N3O/c1-9-7-12(13)15(14-9)8-10-3-5-11(16-2)6-4-10/h3-7H,8,13H2,1-2H3
InChIKey
NSEQDDGTNOMRHQ-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

217.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.2
[M+Na]+ 240.11072 157.6
[M-H]- 216.11422 152.7
[M+NH4]+ 235.15532 165.9
[M+K]+ 256.08466 154.1
[M+H-H2O]+ 200.11876 140.0
[M+HCOO]- 262.11970 172.2
[M+CH3COO]- 276.13535 190.9
[M+Na-2H]- 238.09617 152.1
[M]+ 217.12095 149.4
[M]- 217.12205 149.4
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