CID 9994246

1,18-diamino-5,9,14-triazaoctadecane

Structural Information

Molecular Formula
C15H37N5
SMILES
C(CCNCCCCNCCCNCCCCN)CN
InChI
InChI=1S/C15H37N5/c16-8-1-3-10-18-12-5-6-13-20-15-7-14-19-11-4-2-9-17/h18-20H,1-17H2
InChIKey
ITSJFETYKWFREV-UHFFFAOYSA-N
Compound name
N'-[4-[3-(4-aminobutylamino)propylamino]butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

287.3049 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.31218 170.1
[M+Na]+ 310.29412 169.3
[M-H]- 286.29762 167.4
[M+NH4]+ 305.33872 183.6
[M+K]+ 326.26806 166.4
[M+H-H2O]+ 270.30216 161.3
[M+HCOO]- 332.30310 194.7
[M+CH3COO]- 346.31875 218.4
[M+Na-2H]- 308.27957 172.2
[M]+ 287.30435 168.7
[M]- 287.30545 168.7
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