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 168.9
[M+Na]+ 302.16277 174.2
[M-H]- 278.16627 172.2
[M+NH4]+ 297.20737 179.3
[M+K]+ 318.13671 167.7
[M+H-H2O]+ 262.17081 157.8
[M+HCOO]- 324.17175 183.6
[M+CH3COO]- 338.18740 177.7
[M+Na-2H]- 300.14822 172.3
[M]+ 279.17300 163.5
[M]- 279.17410 163.5
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