CID 54594813

5-(2-methoxyphenyl)-n-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C11H13N3O
SMILES
CNC1=NNC(=C1)C2=CC=CC=C2OC
InChI
InChI=1S/C11H13N3O/c1-12-11-7-9(13-14-11)8-5-3-4-6-10(8)15-2/h3-7H,1-2H3,(H2,12,13,14)
InChIKey
WREHLNZJQJEIGY-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.4
[M+Na]+ 226.095088 151.8
[M-H]- 202.098594 146.7
[M+NH4]+ 221.139693 160.8
[M+K]+ 242.069028 148.0
[M+H-H2O]+ 186.103130 135.3
[M+HCOO]- 248.104071 166.8
[M+CH3COO]- 262.119721 184.9
[M+Na-2H]- 224.080536 149.1
[M]+ 203.10532142 142.9
[M]- 203.10641858 142.9
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