CID 125449135

1-methyl-n4-phenyl-1h-pyrazole-3,4-diamine

Structural Information

Molecular Formula
C10H12N4
SMILES
CN1C=C(C(=N1)N)NC2=CC=CC=C2
InChI
InChI=1S/C10H12N4/c1-14-7-9(10(11)13-14)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H2,11,13)
InChIKey
AAMSBGHAGJGZBL-UHFFFAOYSA-N
Compound name
1-methyl-4-N-phenylpyrazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 139.1
[M+Na]+ 211.095418 147.6
[M-H]- 187.098924 143.4
[M+NH4]+ 206.140023 157.2
[M+K]+ 227.069358 144.0
[M+H-H2O]+ 171.103460 130.7
[M+HCOO]- 233.104401 164.5
[M+CH3COO]- 247.120051 152.2
[M+Na-2H]- 209.080866 145.3
[M]+ 188.10565142 137.0
[M]- 188.10674858 137.0
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

No patent data available for this compound.