CID 3008686

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

Structural Information

Molecular Formula
C16H25N5O2
SMILES
CCCCOC1=CC=CC=C1CON2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C16H25N5O2/c1-4-5-10-22-13-9-7-6-8-12(13)11-23-21-15(18)19-14(17)20-16(21,2)3/h6-9H,4-5,10-11H2,1-3H3,(H4,17,18,19,20)
InChIKey
ZHPAMRVYQHSSDW-UHFFFAOYSA-N
Compound name
1-[(2-butoxyphenyl)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

319.20084 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20812 177.8
[M+Na]+ 342.19006 185.4
[M-H]- 318.19356 179.9
[M+NH4]+ 337.23466 189.5
[M+K]+ 358.16400 181.4
[M+H-H2O]+ 302.19810 167.9
[M+HCOO]- 364.19904 197.3
[M+CH3COO]- 378.21469 213.7
[M+Na-2H]- 340.17551 181.3
[M]+ 319.20029 179.1
[M]- 319.20139 179.1
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.