CID 3008684

Schembl9395244

Structural Information

Molecular Formula
C16H19N5O
SMILES
CC1(N=C(N=C(N1OCC2=CC=CC3=CC=CC=C32)N)N)C
InChI
InChI=1S/C16H19N5O/c1-16(2)20-14(17)19-15(18)21(16)22-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H4,17,18,19,20)
InChIKey
VLNMERRTCAZTAA-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(naphthalen-1-ylmethoxy)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.15897 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16625 171.8
[M+Na]+ 320.14819 181.1
[M-H]- 296.15169 175.1
[M+NH4]+ 315.19279 185.3
[M+K]+ 336.12213 175.6
[M+H-H2O]+ 280.15623 161.7
[M+HCOO]- 342.15717 190.9
[M+CH3COO]- 356.17282 182.1
[M+Na-2H]- 318.13364 178.4
[M]+ 297.15842 170.6
[M]- 297.15952 170.6
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