CID 78117

3,6,9,12,15-pentaazaheptadecane-1,17-diamine

Structural Information

Molecular Formula
C12H33N7
SMILES
C(CNCCNCCNCCNCCNCCN)N
InChI
InChI=1S/C12H33N7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h15-19H,1-14H2
InChIKey
AQGNVWRYTKPRMR-UHFFFAOYSA-N
Compound name
N'-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5436
Patents

275.27975 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.28703 157.2
[M+Na]+ 298.26897 156.0
[M-H]- 274.27247 155.1
[M+NH4]+ 293.31357 170.3
[M+K]+ 314.24291 154.4
[M+H-H2O]+ 258.27701 147.8
[M+HCOO]- 320.27795 184.6
[M+CH3COO]- 334.29360 220.4
[M+Na-2H]- 296.25442 161.8
[M]+ 275.27920 153.2
[M]- 275.28030 153.2
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