CID 3008711

1-[10-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]decoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C20H40N10O2
SMILES
CC1(N=C(N=C(N1OCCCCCCCCCCON2C(=NC(=NC2(C)C)N)N)N)N)C
InChI
InChI=1S/C20H40N10O2/c1-19(2)27-15(21)25-17(23)29(19)31-13-11-9-7-5-6-8-10-12-14-32-30-18(24)26-16(22)28-20(30,3)4/h5-14H2,1-4H3,(H4,21,23,25,27)(H4,22,24,26,28)
InChIKey
XTVDMIRVEIBWDV-UHFFFAOYSA-N
Compound name
1-[10-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]decoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.33356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.34084 209.8
[M+Na]+ 475.32278 215.9
[M-H]- 451.32628 207.6
[M+NH4]+ 470.36738 213.7
[M+K]+ 491.29672 211.2
[M+H-H2O]+ 435.33082 199.3
[M+HCOO]- 497.33176 223.6
[M+CH3COO]- 511.34741 246.1
[M+Na-2H]- 473.30823 211.1
[M]+ 452.33301 211.0
[M]- 452.33411 211.0
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.