CID 16073804

Chembl20528

Structural Information

Molecular Formula
C19H23N7O2
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)COC3=CC=CC(=C3)NC(=O)N)N)N)C
InChI
InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)
InChIKey
QUJOYPHCUFJRJV-UHFFFAOYSA-N
Compound name
[3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

381.1913 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19858 191.8
[M+Na]+ 404.18052 198.7
[M-H]- 380.18402 197.3
[M+NH4]+ 399.22512 199.6
[M+K]+ 420.15446 193.5
[M+H-H2O]+ 364.18856 180.7
[M+HCOO]- 426.18950 212.3
[M+CH3COO]- 440.20515 230.0
[M+Na-2H]- 402.16597 195.2
[M]+ 381.19075 188.6
[M]- 381.19185 188.6
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.