CID 199927

Brn 0614236

Structural Information

Molecular Formula
C11H12N4O
SMILES
COC1=NC(=NC(=N1)N)CC2=CC=CC=C2
InChI
InChI=1S/C11H12N4O/c1-16-11-14-9(13-10(12)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15)
InChIKey
AFGHCYVSBXODBM-UHFFFAOYSA-N
Compound name
4-benzyl-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 147.4
[M+Na]+ 239.09032 162.0
[M+NH4]+ 234.13492 154.8
[M+K]+ 255.06426 155.3
[M-H]- 215.09382 150.7
[M+Na-2H]- 237.07577 156.8
[M]+ 216.10055 150.4
[M]- 216.10165 150.4
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.