CID 71166

Aminoquinuride

Structural Information

Molecular Formula
C21H20N6O
SMILES
CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N
InChI
InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)
InChIKey
HOUSDILKOJMENG-UHFFFAOYSA-N
Compound name
1,3-bis(4-amino-2-methylquinolin-6-yl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

1723
Patents

372.16986 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.177136 189.8
[M+Na]+ 395.159078 199.1
[M-H]- 371.162584 196.0
[M+NH4]+ 390.203683 200.1
[M+K]+ 411.133018 192.3
[M+H-H2O]+ 355.167120 179.3
[M+HCOO]- 417.168061 211.9
[M+CH3COO]- 431.183711 199.2
[M+Na-2H]- 393.144526 196.6
[M]+ 372.16931142 189.2
[M]- 372.17040858 189.2
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