CID 16073815

6,6-dimethyl-1-(4-undecylphenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C22H37N5
SMILES
CCCCCCCCCCCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C22H37N5/c1-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)27-21(24)25-20(23)26-22(27,2)3/h14-17H,4-13H2,1-3H3,(H4,23,24,25,26)
InChIKey
DGIRPYVVLJHLFD-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(4-undecylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.3049 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.31218 197.5
[M+Na]+ 394.29412 202.7
[M-H]- 370.29762 198.3
[M+NH4]+ 389.33872 207.2
[M+K]+ 410.26806 196.1
[M+H-H2O]+ 354.30216 186.7
[M+HCOO]- 416.30310 214.5
[M+CH3COO]- 430.31875 227.2
[M+Na-2H]- 392.27957 197.7
[M]+ 371.30435 198.0
[M]- 371.30545 198.0
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.