CID 1502824

3654-22-6

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=NN(C(=C1C2=CC=CC=C2)N)C
InChI
InChI=1S/C11H13N3/c1-8-10(11(12)14(2)13-8)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
InChIKey
PBVCIAKCHUXQTA-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

187.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.6
[M+Na]+ 210.10017 150.5
[M-H]- 186.10367 145.2
[M+NH4]+ 205.14477 159.5
[M+K]+ 226.07411 146.8
[M+H-H2O]+ 170.10821 132.8
[M+HCOO]- 232.10915 164.6
[M+CH3COO]- 246.12480 185.8
[M+Na-2H]- 208.08562 145.0
[M]+ 187.11040 140.0
[M]- 187.11150 140.0
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