CID 9840718

Chembl265373

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C19H20N4O2/c1-13(2)25-17-6-4-3-5-15(17)12-21-19(24)23-18-8-7-14-11-20-10-9-16(14)22-18/h3-11,13H,12H2,1-2H3,(H2,21,22,23,24)
InChIKey
QHPRBVRGJDMXMY-UHFFFAOYSA-N
Compound name
1-(1,6-naphthyridin-2-yl)-3-[(2-propan-2-yloxyphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

336.15863 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 179.4
[M+Na]+ 359.14785 184.7
[M-H]- 335.15135 183.9
[M+NH4]+ 354.19245 190.1
[M+K]+ 375.12179 180.2
[M+H-H2O]+ 319.15589 168.7
[M+HCOO]- 381.15683 199.7
[M+CH3COO]- 395.17248 216.0
[M+Na-2H]- 357.13330 185.6
[M]+ 336.15808 180.0
[M]- 336.15918 180.0
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

patents stripe