CID 6456680

3-(methoxymethyl)-4-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H13N3O
SMILES
COCC1=C(C(=NN1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3O/c1-15-7-9-10(11(12)14-13-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,12,13,14)
InChIKey
REIKKMUTPQYVNL-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

203.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 144.8
[M+Na]+ 226.09509 157.0
[M+NH4]+ 221.13969 152.3
[M+K]+ 242.06903 152.7
[M-H]- 202.09859 147.5
[M+Na-2H]- 224.08054 152.2
[M]+ 203.10532 147.1
[M]- 203.10642 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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