CID 16775805

N2-methyl-n2-phenylpyridine-2,5-diamine

Structural Information

Molecular Formula
C12H13N3
SMILES
CN(C1=CC=CC=C1)C2=NC=C(C=C2)N
InChI
InChI=1S/C12H13N3/c1-15(11-5-3-2-4-6-11)12-8-7-10(13)9-14-12/h2-9H,13H2,1H3
InChIKey
LFKITGZYAOJNQV-UHFFFAOYSA-N
Compound name
2-N-methyl-2-N-phenylpyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.11095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 143.1
[M+Na]+ 222.100168 150.0
[M-H]- 198.103674 149.5
[M+NH4]+ 217.144773 160.6
[M+K]+ 238.074108 147.3
[M+H-H2O]+ 182.108210 134.6
[M+HCOO]- 244.109151 168.8
[M+CH3COO]- 258.124801 192.3
[M+Na-2H]- 220.085616 150.8
[M]+ 199.11040142 141.3
[M]- 199.11149858 141.3
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