CID 3008682

1-dodecoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C17H35N5O
SMILES
CCCCCCCCCCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C17H35N5O/c1-4-5-6-7-8-9-10-11-12-13-14-23-22-16(19)20-15(18)21-17(22,2)3/h4-14H2,1-3H3,(H4,18,19,20,21)
InChIKey
RYGNBCMRUBPFAZ-UHFFFAOYSA-N
Compound name
1-dodecoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.28415 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.29143 183.4
[M+Na]+ 348.27337 188.4
[M-H]- 324.27687 181.1
[M+NH4]+ 343.31797 195.2
[M+K]+ 364.24731 184.5
[M+H-H2O]+ 308.28141 174.4
[M+HCOO]- 370.28235 201.0
[M+CH3COO]- 384.29800 217.6
[M+Na-2H]- 346.25882 184.6
[M]+ 325.28360 185.8
[M]- 325.28470 185.8
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.