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

literature stripe

Patent stripe

patents stripe