CID 7065

91-78-1

Structural Information

Molecular Formula
C21H21N3
SMILES
C1N(CN(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
VASMRQAVWVVDPA-UHFFFAOYSA-N
Compound name
1,3,5-triphenyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

336
Patents

315.17355 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18083 179.1
[M+Na]+ 338.16277 196.8
[M+NH4]+ 333.20737 188.2
[M+K]+ 354.13671 186.1
[M-H]- 314.16627 187.5
[M+Na-2H]- 336.14822 192.5
[M]+ 315.17300 184.3
[M]- 315.17410 184.3
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