CID 368998

3,8,13,18,23-pentaazapentacosane

Structural Information

Molecular Formula
C20H47N5
SMILES
CCNCCCCNCCCCNCCCCNCCCCNCC
InChI
InChI=1S/C20H47N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h21-25H,3-20H2,1-2H3
InChIKey
NPPQUDMGFNXAFH-UHFFFAOYSA-N
Compound name
N-ethyl-N'-[4-[4-[4-(ethylamino)butylamino]butylamino]butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

165
Patents

357.38315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.39043 191.4
[M+Na]+ 380.37237 188.4
[M-H]- 356.37587 188.7
[M+NH4]+ 375.41697 202.6
[M+K]+ 396.34631 185.0
[M+H-H2O]+ 340.38041 181.7
[M+HCOO]- 402.38135 215.5
[M+CH3COO]- 416.39700 234.4
[M+Na-2H]- 378.35782 193.1
[M]+ 357.38260 193.9
[M]- 357.38370 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.