CID 106514

68083-44-3

Structural Information

Molecular Formula
C24H27N3
SMILES
CC1=CC=CC=C1N2CN(CN(C2)C3=CC=CC=C3C)C4=CC=CC=C4C
InChI
InChI=1S/C24H27N3/c1-19-10-4-7-13-22(19)25-16-26(23-14-8-5-11-20(23)2)18-27(17-25)24-15-9-6-12-21(24)3/h4-15H,16-18H2,1-3H3
InChIKey
JZNPIGWAHAEPOW-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-methylphenyl)-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

357.2205 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 193.2
[M+Na]+ 380.20972 199.4
[M-H]- 356.21322 200.8
[M+NH4]+ 375.25432 201.1
[M+K]+ 396.18366 191.4
[M+H-H2O]+ 340.21776 179.7
[M+HCOO]- 402.21870 207.8
[M+CH3COO]- 416.23435 201.2
[M+Na-2H]- 378.19517 193.6
[M]+ 357.21995 189.0
[M]- 357.22105 189.0
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