CID 90752

22201-90-7

Structural Information

Molecular Formula
C18H21N3
SMILES
CC1CN(NC(=N1)C(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H21N3/c1-14-13-21(2)20-18(19-14)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChIKey
WUVCUSVZLXVAEB-UHFFFAOYSA-N
Compound name
3-benzhydryl-1,5-dimethyl-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18083 169.4
[M+Na]+ 302.16277 184.8
[M+NH4]+ 297.20737 177.4
[M+K]+ 318.13671 176.3
[M-H]- 278.16627 174.7
[M+Na-2H]- 300.14822 179.6
[M]+ 279.17300 173.2
[M]- 279.17410 173.2
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.