CID 2823321

3-phenyl-1-(quinolin-6-yl)urea

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C16H13N3O/c20-16(18-13-6-2-1-3-7-13)19-14-8-9-15-12(11-14)5-4-10-17-15/h1-11H,(H2,18,19,20)
InChIKey
JZNREJCVLZNWHA-UHFFFAOYSA-N
Compound name
1-phenyl-3-quinolin-6-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

263.10587 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 157.2
[M+Na]+ 286.09509 163.7
[M-H]- 262.09859 163.3
[M+NH4]+ 281.13969 172.4
[M+K]+ 302.06903 158.7
[M+H-H2O]+ 246.10313 148.1
[M+HCOO]- 308.10407 180.9
[M+CH3COO]- 322.11972 168.7
[M+Na-2H]- 284.08054 166.8
[M]+ 263.10532 155.2
[M]- 263.10642 155.2
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