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

6596
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

literature stripe

Patent stripe

patents stripe