CID 4046493

Vuf 5574

Structural Information

Molecular Formula
C21H17N5O2
SMILES
COC1=CC=CC=C1NC(=O)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4
InChI
InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKey
YRAFEJSZTVWUMD-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

91
Patents

371.1382 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 188.5
[M+Na]+ 394.12742 204.5
[M+NH4]+ 389.17202 195.3
[M+K]+ 410.10136 196.0
[M-H]- 370.13092 195.1
[M+Na-2H]- 392.11287 199.7
[M]+ 371.13765 192.7
[M]- 371.13875 192.7
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

patents stripe