CID 205771

Pyridine, 3-amino-2-((3,4-dimethylphenethyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C15H19N3
SMILES
CC1=C(C=C(C=C1)CCNC2=C(C=CC=N2)N)C
InChI
InChI=1S/C15H19N3/c1-11-5-6-13(10-12(11)2)7-9-18-15-14(16)4-3-8-17-15/h3-6,8,10H,7,9,16H2,1-2H3,(H,17,18)
InChIKey
YDSWWEYBMXWQPG-UHFFFAOYSA-N
Compound name
2-N-[2-(3,4-dimethylphenyl)ethyl]pyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.165176 157.3
[M+Na]+ 264.147118 164.7
[M-H]- 240.150624 162.4
[M+NH4]+ 259.191723 173.0
[M+K]+ 280.121058 159.8
[M+H-H2O]+ 224.155160 148.8
[M+HCOO]- 286.156101 181.4
[M+CH3COO]- 300.171751 200.3
[M+Na-2H]- 262.132566 162.5
[M]+ 241.15735142 156.0
[M]- 241.15844858 156.0
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.