CID 3008710

1-[8-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]octoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C18H36N10O2
SMILES
CC1(N=C(N=C(N1OCCCCCCCCON2C(=NC(=NC2(C)C)N)N)N)N)C
InChI
InChI=1S/C18H36N10O2/c1-17(2)25-13(19)23-15(21)27(17)29-11-9-7-5-6-8-10-12-30-28-16(22)24-14(20)26-18(28,3)4/h5-12H2,1-4H3,(H4,19,21,23,25)(H4,20,22,24,26)
InChIKey
ZTCORLVFMUPQOZ-UHFFFAOYSA-N
Compound name
1-[8-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]octoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.30228 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.30956 202.7
[M+Na]+ 447.29150 209.8
[M-H]- 423.29500 200.9
[M+NH4]+ 442.33610 207.7
[M+K]+ 463.26544 205.3
[M+H-H2O]+ 407.29954 192.6
[M+HCOO]- 469.30048 217.2
[M+CH3COO]- 483.31613 240.5
[M+Na-2H]- 445.27695 204.8
[M]+ 424.30173 203.2
[M]- 424.30283 203.2
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.