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 148.1
[M+Na]+ 239.09032 157.1
[M-H]- 215.09382 150.7
[M+NH4]+ 234.13492 162.0
[M+K]+ 255.06426 153.1
[M+H-H2O]+ 199.09836 138.5
[M+HCOO]- 261.09930 170.0
[M+CH3COO]- 275.11495 189.7
[M+Na-2H]- 237.07577 155.9
[M]+ 216.10055 148.1
[M]- 216.10165 148.1
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.