CID 75685

1,3,5-tribenzylhexahydro-1,3,5-triazine

Structural Information

Molecular Formula
C24H27N3
SMILES
C1N(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2
InChIKey
VWVZIRPJPFJGFE-UHFFFAOYSA-N
Compound name
1,3,5-tribenzyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

357.2205 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 190.7
[M+Na]+ 380.20972 194.1
[M-H]- 356.21322 197.0
[M+NH4]+ 375.25432 197.6
[M+K]+ 396.18366 186.0
[M+H-H2O]+ 340.21776 176.6
[M+HCOO]- 402.21870 205.3
[M+CH3COO]- 416.23435 197.7
[M+Na-2H]- 378.19517 193.5
[M]+ 357.21995 185.1
[M]- 357.22105 185.1
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