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

51
Patents

217.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.2
[M+Na]+ 240.110718 157.6
[M-H]- 216.114224 152.7
[M+NH4]+ 235.155323 165.9
[M+K]+ 256.084658 154.1
[M+H-H2O]+ 200.118760 140.0
[M+HCOO]- 262.119701 172.2
[M+CH3COO]- 276.135351 190.9
[M+Na-2H]- 238.096166 152.1
[M]+ 217.12095142 149.4
[M]- 217.12204858 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