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]+ 200.11823 143.1
[M+Na]+ 222.10017 150.0
[M-H]- 198.10367 149.5
[M+NH4]+ 217.14477 160.6
[M+K]+ 238.07411 147.3
[M+H-H2O]+ 182.10821 134.6
[M+HCOO]- 244.10915 168.8
[M+CH3COO]- 258.12480 192.3
[M+Na-2H]- 220.08562 150.8
[M]+ 199.11040 141.3
[M]- 199.11150 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