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

6
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 143.8
[M+Na]+ 226.09509 152.2
[M-H]- 202.09859 146.6
[M+NH4]+ 221.13969 160.9
[M+K]+ 242.06903 148.1
[M+H-H2O]+ 186.10313 135.7
[M+HCOO]- 248.10407 166.5
[M+CH3COO]- 262.11972 184.2
[M+Na-2H]- 224.08054 148.5
[M]+ 203.10532 142.3
[M]- 203.10642 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe