CID 3022193

Vufb-3472

Structural Information

Molecular Formula
C17H23N3
SMILES
CC(C1=CC=CC=C1)N(CCN(C)C)C2=CC=CC=N2
InChI
InChI=1S/C17H23N3/c1-15(16-9-5-4-6-10-16)20(14-13-19(2)3)17-11-7-8-12-18-17/h4-12,15H,13-14H2,1-3H3
InChIKey
QIUSRYJPGVEDQL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19648 166.2
[M+Na]+ 292.17842 169.7
[M-H]- 268.18192 173.3
[M+NH4]+ 287.22302 181.2
[M+K]+ 308.15236 168.0
[M+H-H2O]+ 252.18646 156.2
[M+HCOO]- 314.18740 190.3
[M+CH3COO]- 328.20305 211.1
[M+Na-2H]- 290.16387 170.9
[M]+ 269.18865 167.3
[M]- 269.18975 167.3
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

No patent data available for this compound.