CID 3008701

2-(2-methoxyphenyl)-1-(1-naphthylmethoxy)-2h-1,3,5-triazine-4,6-diamine

Structural Information

Molecular Formula
C21H21N5O2
SMILES
COC1=CC=CC=C1C2N=C(N=C(N2OCC3=CC=CC4=CC=CC=C43)N)N
InChI
InChI=1S/C21H21N5O2/c1-27-18-12-5-4-11-17(18)19-24-20(22)25-21(23)26(19)28-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12,19H,13H2,1H3,(H4,22,23,24,25)
InChIKey
GCFWHGCJUMGHFH-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1-(naphthalen-1-ylmethoxy)-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.16953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17681 191.7
[M+Na]+ 398.15875 199.4
[M-H]- 374.16225 197.6
[M+NH4]+ 393.20335 199.2
[M+K]+ 414.13269 192.5
[M+H-H2O]+ 358.16679 179.2
[M+HCOO]- 420.16773 210.1
[M+CH3COO]- 434.18338 200.1
[M+Na-2H]- 396.14420 196.5
[M]+ 375.16898 190.7
[M]- 375.17008 190.7
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.