CID 3008709

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

Structural Information

Molecular Formula
C16H32N10O2
SMILES
CC1(N=C(N=C(N1OCCCCCCON2C(=NC(=NC2(C)C)N)N)N)N)C
InChI
InChI=1S/C16H32N10O2/c1-15(2)23-11(17)21-13(19)25(15)27-9-7-5-6-8-10-28-26-14(20)22-12(18)24-16(26,3)4/h5-10H2,1-4H3,(H4,17,19,21,23)(H4,18,20,22,24)
InChIKey
BDGZXPSZWBGRKY-UHFFFAOYSA-N
Compound name
1-[6-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]hexoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.27097 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.27825 195.5
[M+Na]+ 419.26019 203.5
[M-H]- 395.26369 194.1
[M+NH4]+ 414.30479 201.7
[M+K]+ 435.23413 199.4
[M+H-H2O]+ 379.26823 185.7
[M+HCOO]- 441.26917 210.7
[M+CH3COO]- 455.28482 234.9
[M+Na-2H]- 417.24564 198.4
[M]+ 396.27042 195.4
[M]- 396.27152 195.4
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.