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]+ 217.108376 148.1
[M+Na]+ 239.090318 157.1
[M-H]- 215.093824 150.7
[M+NH4]+ 234.134923 162.0
[M+K]+ 255.064258 153.1
[M+H-H2O]+ 199.098360 138.5
[M+HCOO]- 261.099301 170.0
[M+CH3COO]- 275.114951 189.7
[M+Na-2H]- 237.075766 155.9
[M]+ 216.10055142 148.1
[M]- 216.10164858 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.