CID 5587

Tripelennamine

Structural Information

Molecular Formula
C16H21N3
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKey
UFLGIAIHIAPJJC-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

777
References

19678
Patents

255.17355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 161.2
[M+Na]+ 278.16277 165.5
[M-H]- 254.16627 168.4
[M+NH4]+ 273.20737 176.9
[M+K]+ 294.13671 163.5
[M+H-H2O]+ 238.17081 151.3
[M+HCOO]- 300.17175 186.6
[M+CH3COO]- 314.18740 207.3
[M+Na-2H]- 276.14822 167.7
[M]+ 255.17300 162.6
[M]- 255.17410 162.6
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