CID 3008712

1-[12-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]dodecoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C22H44N10O2
SMILES
CC1(N=C(N=C(N1OCCCCCCCCCCCCON2C(=NC(=NC2(C)C)N)N)N)N)C
InChI
InChI=1S/C22H44N10O2/c1-21(2)29-17(23)27-19(25)31(21)33-15-13-11-9-7-5-6-8-10-12-14-16-34-32-20(26)28-18(24)30-22(32,3)4/h5-16H2,1-4H3,(H4,23,25,27,29)(H4,24,26,28,30)
InChIKey
WFYPTQBOBVJAPA-UHFFFAOYSA-N
Compound name
1-[12-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]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

480.36487 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.37215 216.8
[M+Na]+ 503.35409 222.0
[M-H]- 479.35759 214.3
[M+NH4]+ 498.39869 219.6
[M+K]+ 519.32803 217.0
[M+H-H2O]+ 463.36213 206.0
[M+HCOO]- 525.36307 230.0
[M+CH3COO]- 539.37872 251.7
[M+Na-2H]- 501.33954 217.4
[M]+ 480.36432 218.6
[M]- 480.36542 218.6
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.