CID 43157467

5-cyclopropyl-4-phenyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CC1C2=C(C(=NN2)N)C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c13-12-10(8-4-2-1-3-5-8)11(14-15-12)9-6-7-9/h1-5,9H,6-7H2,(H3,13,14,15)
InChIKey
SUYSYRPYNFPWJT-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-phenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.11095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 142.4
[M+Na]+ 222.10017 152.5
[M-H]- 198.10367 148.9
[M+NH4]+ 217.14477 154.9
[M+K]+ 238.07411 146.4
[M+H-H2O]+ 182.10821 134.5
[M+HCOO]- 244.10915 165.4
[M+CH3COO]- 258.12480 154.7
[M+Na-2H]- 220.08562 147.1
[M]+ 199.11040 141.1
[M]- 199.11150 141.1
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