CID 85160

15875-13-5

Structural Information

Molecular Formula
C18H42N6
SMILES
CN(C)CCCN1CN(CN(C1)CCCN(C)C)CCCN(C)C
InChI
InChI=1S/C18H42N6/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6/h7-18H2,1-6H3
InChIKey
FZQMJOOSLXFQSU-UHFFFAOYSA-N
Compound name
3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6389
Patents

342.3471 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.35438 193.9
[M+Na]+ 365.33632 194.3
[M-H]- 341.33982 195.3
[M+NH4]+ 360.38092 204.6
[M+K]+ 381.31026 194.4
[M+H-H2O]+ 325.34436 182.6
[M+HCOO]- 387.34530 211.7
[M+CH3COO]- 401.36095 234.8
[M+Na-2H]- 363.32177 192.2
[M]+ 342.34655 196.7
[M]- 342.34765 196.7
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

No patent data available for this compound.