CID 490686

N-ethyl-n'-[[(1s,2s)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine

Structural Information

Molecular Formula
C17H38N4
SMILES
CCNCCCCNC[C@H]1C[C@@H]1CNCCCCNCC
InChI
InChI=1S/C17H38N4/c1-3-18-9-5-7-11-20-14-16-13-17(16)15-21-12-8-6-10-19-4-2/h16-21H,3-15H2,1-2H3/t16-,17-/m1/s1
InChIKey
BAOFSMLABBUBJP-IAGOWNOFSA-N
Compound name
N-ethyl-N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

45
Patents

298.30966 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.31694 168.8
[M+Na]+ 321.29888 171.3
[M-H]- 297.30238 171.7
[M+NH4]+ 316.34348 178.8
[M+K]+ 337.27282 166.4
[M+H-H2O]+ 281.30692 160.7
[M+HCOO]- 343.30786 193.7
[M+CH3COO]- 357.32351 221.4
[M+Na-2H]- 319.28433 172.2
[M]+ 298.30911 172.9
[M]- 298.31021 172.9
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