CID 205765

18527-65-6

Structural Information

Molecular Formula
C14H17N3O
SMILES
COC1=CC=C(C=C1)CCNC2=C(C=NC=C2)N
InChI
InChI=1S/C14H17N3O/c1-18-12-4-2-11(3-5-12)6-9-17-14-7-8-16-10-13(14)15/h2-5,7-8,10H,6,9,15H2,1H3,(H,16,17)
InChIKey
LQTGTCZEUMJBHD-UHFFFAOYSA-N
Compound name
4-N-[2-(4-methoxyphenyl)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.2
[M+Na]+ 266.12638 162.0
[M-H]- 242.12988 160.2
[M+NH4]+ 261.17098 170.5
[M+K]+ 282.10032 157.9
[M+H-H2O]+ 226.13442 146.4
[M+HCOO]- 288.13536 180.0
[M+CH3COO]- 302.15101 198.2
[M+Na-2H]- 264.11183 161.8
[M]+ 243.13661 154.6
[M]- 243.13771 154.6
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.