CID 3008689

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

Structural Information

Molecular Formula
C18H29N5O2
SMILES
CCCCCCOC1=CC=C(C=C1)CON2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C18H29N5O2/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)13-25-23-17(20)21-16(19)22-18(23,2)3/h8-11H,4-7,12-13H2,1-3H3,(H4,19,20,21,22)
InChIKey
USNSKHWJRWPJRR-UHFFFAOYSA-N
Compound name
1-[(4-hexoxyphenyl)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

347.23212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23940 186.2
[M+Na]+ 370.22134 192.8
[M-H]- 346.22484 187.9
[M+NH4]+ 365.26594 196.7
[M+K]+ 386.19528 188.4
[M+H-H2O]+ 330.22938 175.9
[M+HCOO]- 392.23032 205.0
[M+CH3COO]- 406.24597 219.6
[M+Na-2H]- 368.20679 188.7
[M]+ 347.23157 188.2
[M]- 347.23267 188.2
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.