CID 16073800

Chembl441503

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)COC3=CC=CC(=C3)CO)N)N)C
InChI
InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-25/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23)
InChIKey
XHJNBBKNRVVKOH-UHFFFAOYSA-N
Compound name
[3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

353.18518 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 187.3
[M+Na]+ 376.17440 195.3
[M-H]- 352.17790 191.6
[M+NH4]+ 371.21900 196.5
[M+K]+ 392.14834 189.2
[M+H-H2O]+ 336.18244 176.4
[M+HCOO]- 398.18338 205.5
[M+CH3COO]- 412.19903 217.8
[M+Na-2H]- 374.15985 190.6
[M]+ 353.18463 185.7
[M]- 353.18573 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.