CID 3008722

1-[[3-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxymethyl]phenoxy]phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C24H32N10O3
SMILES
CC1(N=C(N=C(N1OCC2=CC(=CC=C2)OC3=CC=CC(=C3)CON4C(=NC(=NC4(C)C)N)N)N)N)C
InChI
InChI=1S/C24H32N10O3/c1-23(2)31-19(25)29-21(27)33(23)35-13-15-7-5-9-17(11-15)37-18-10-6-8-16(12-18)14-36-34-22(28)30-20(26)32-24(34,3)4/h5-12H,13-14H2,1-4H3,(H4,25,27,29,31)(H4,26,28,30,32)
InChIKey
AKXVMUQWINWNSQ-UHFFFAOYSA-N
Compound name
1-[[3-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxymethyl]phenoxy]phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.2659 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.27318 224.1
[M+Na]+ 531.25512 232.2
[M-H]- 507.25862 229.1
[M+NH4]+ 526.29972 224.6
[M+K]+ 547.22906 226.0
[M+H-H2O]+ 491.26316 210.5
[M+HCOO]- 553.26410 238.6
[M+CH3COO]- 567.27975 229.2
[M+Na-2H]- 529.24057 227.1
[M]+ 508.26535 223.7
[M]- 508.26645 223.7
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.