CID 28479

1,7-dibenzyldiethylenetriamine

Structural Information

Molecular Formula
C18H25N3
SMILES
C1=CC=C(C=C1)CNCCNCCNCC2=CC=CC=C2
InChI
InChI=1S/C18H25N3/c1-3-7-17(8-4-1)15-20-13-11-19-12-14-21-16-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2
InChIKey
RLAQWTCINCQFON-UHFFFAOYSA-N
Compound name
N'-benzyl-N-[2-(benzylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

283.20483 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 165.9
[M+Na]+ 306.19405 168.2
[M-H]- 282.19755 171.1
[M+NH4]+ 301.23865 180.2
[M+K]+ 322.16799 163.2
[M+H-H2O]+ 266.20209 156.7
[M+HCOO]- 328.20303 192.0
[M+CH3COO]- 342.21868 209.0
[M+Na-2H]- 304.17950 173.4
[M]+ 283.20428 164.3
[M]- 283.20538 164.3
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