CID 485136

1-[(3-isopropoxyphenyl)methyl]-3-(1,6-naphthyridin-2-yl)urea

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CC(C)OC1=CC=CC(=C1)CNC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C19H20N4O2/c1-13(2)25-16-5-3-4-14(10-16)11-21-19(24)23-18-7-6-15-12-20-9-8-17(15)22-18/h3-10,12-13H,11H2,1-2H3,(H2,21,22,23,24)
InChIKey
HQOZCMRSOCAZBK-UHFFFAOYSA-N
Compound name
1-(1,6-naphthyridin-2-yl)-3-[(3-propan-2-yloxyphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.