CID 3047229

Brn 0889391

Structural Information

Molecular Formula
C18H17N3O
SMILES
CC1=CC=C(C=C1)C2=C(N=NC(=N2)OC)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H17N3O/c1-12-4-8-14(9-5-12)16-17(20-21-18(19-16)22-3)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKey
HKJXLVQNYXHYHX-UHFFFAOYSA-N
Compound name
3-methoxy-5,6-bis(4-methylphenyl)-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

291.13718 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 170.8
[M+Na]+ 314.12640 180.7
[M-H]- 290.12990 177.0
[M+NH4]+ 309.17100 182.2
[M+K]+ 330.10034 174.7
[M+H-H2O]+ 274.13444 159.5
[M+HCOO]- 336.13538 191.0
[M+CH3COO]- 350.15103 182.0
[M+Na-2H]- 312.11185 176.2
[M]+ 291.13663 172.8
[M]- 291.13773 172.8
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