CID 92675

57130-80-0

Structural Information

Molecular Formula
C17H40N4O
SMILES
CCCCCCCCOCC(C)NCCNCCNCCN
InChI
InChI=1S/C17H40N4O/c1-3-4-5-6-7-8-15-22-16-17(2)21-14-13-20-12-11-19-10-9-18/h17,19-21H,3-16,18H2,1-2H3
InChIKey
NEYQJWIFNBCOHF-UHFFFAOYSA-N
Compound name
N'-[2-[2-(1-octoxypropan-2-ylamino)ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.32022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.327496 183.1
[M+Na]+ 339.309438 181.8
[M-H]- 315.312944 180.5
[M+NH4]+ 334.354043 195.9
[M+K]+ 355.283378 179.6
[M+H-H2O]+ 299.317480 174.2
[M+HCOO]- 361.318421 205.8
[M+CH3COO]- 375.334071 222.5
[M+Na-2H]- 337.294886 183.2
[M]+ 316.31967142 184.9
[M]- 316.32076858 184.9
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.