CID 3008703

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

Structural Information

Molecular Formula
C19H25N5O
SMILES
CCCCCC1N=C(N=C(N1OCC2=CC=CC3=CC=CC=C32)N)N
InChI
InChI=1S/C19H25N5O/c1-2-3-4-12-17-22-18(20)23-19(21)24(17)25-13-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,17H,2-4,12-13H2,1H3,(H4,20,21,22,23)
InChIKey
XAKDUSNMYDIPNQ-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethoxy)-2-pentyl-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.2059 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21318 184.7
[M+Na]+ 362.19512 191.4
[M-H]- 338.19862 186.9
[M+NH4]+ 357.23972 194.2
[M+K]+ 378.16906 184.9
[M+H-H2O]+ 322.20316 173.5
[M+HCOO]- 384.20410 202.5
[M+CH3COO]- 398.21975 218.6
[M+Na-2H]- 360.18057 188.6
[M]+ 339.20535 183.9
[M]- 339.20645 183.9
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.