CID 3008692

1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C22H37N5O2
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)CON2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C22H37N5O2/c1-4-5-6-7-8-9-10-11-16-28-19-14-12-18(13-15-19)17-29-27-21(24)25-20(23)26-22(27,2)3/h12-15H,4-11,16-17H2,1-3H3,(H4,23,24,25,26)
InChIKey
CCEOUUUBJBUHTP-UHFFFAOYSA-N
Compound name
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.29474 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.30202 202.7
[M+Na]+ 426.28396 207.5
[M-H]- 402.28746 203.6
[M+NH4]+ 421.32856 210.9
[M+K]+ 442.25790 202.3
[M+H-H2O]+ 386.29200 191.6
[M+HCOO]- 448.29294 220.1
[M+CH3COO]- 462.30859 231.4
[M+Na-2H]- 424.26941 203.3
[M]+ 403.29419 206.0
[M]- 403.29529 206.0
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.