CID 91925

Einecs 259-893-2

Structural Information

Molecular Formula
C14H32N4O
SMILES
CC(CNCCCN(C)C)C(=O)NCCCN(C)C
InChI
InChI=1S/C14H32N4O/c1-13(12-15-8-6-10-17(2)3)14(19)16-9-7-11-18(4)5/h13,15H,6-12H2,1-5H3,(H,16,19)
InChIKey
MGTPQUHIJZMPRF-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3-[3-(dimethylamino)propylamino]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.2576 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.26488 174.9
[M+Na]+ 295.24682 175.5
[M-H]- 271.25032 176.6
[M+NH4]+ 290.29142 191.1
[M+K]+ 311.22076 177.0
[M+H-H2O]+ 255.25486 166.5
[M+HCOO]- 317.25580 199.4
[M+CH3COO]- 331.27145 220.2
[M+Na-2H]- 293.23227 174.3
[M]+ 272.25705 177.7
[M]- 272.25815 177.7
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

patents stripe