CID 10265329

1,17-diamino-4,9,13-triazaheptadecane

Structural Information

Molecular Formula
C14H35N5
SMILES
C(CCNCCCNCCCCNCCCN)CN
InChI
InChI=1S/C14H35N5/c15-7-1-2-9-18-13-6-14-19-11-4-3-10-17-12-5-8-16/h17-19H,1-16H2
InChIKey
WLHDGVSIMKQJQP-UHFFFAOYSA-N
Compound name
N'-[3-[4-(3-aminopropylamino)butylamino]propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

273.28925 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.29653 166.0
[M+Na]+ 296.27847 165.6
[M-H]- 272.28197 163.5
[M+NH4]+ 291.32307 180.1
[M+K]+ 312.25241 162.9
[M+H-H2O]+ 256.28651 157.4
[M+HCOO]- 318.28745 190.9
[M+CH3COO]- 332.30310 215.5
[M+Na-2H]- 294.26392 168.6
[M]+ 273.28870 164.3
[M]- 273.28980 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