CID 39247144

52688-60-5

Structural Information

Molecular Formula
C14H17N3
SMILES
CN(C)C1=CC=C(C=C1)NCC2=CC=CC=N2
InChI
InChI=1S/C14H17N3/c1-17(2)14-8-6-12(7-9-14)16-11-13-5-3-4-10-15-13/h3-10,16H,11H2,1-2H3
InChIKey
RIKLBFYMQFBFJF-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

227.14224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 151.8
[M+Na]+ 250.13146 157.8
[M-H]- 226.13496 158.3
[M+NH4]+ 245.17606 168.4
[M+K]+ 266.10540 154.9
[M+H-H2O]+ 210.13950 142.8
[M+HCOO]- 272.14044 177.5
[M+CH3COO]- 286.15609 199.0
[M+Na-2H]- 248.11691 159.4
[M]+ 227.14169 151.6
[M]- 227.14279 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe