CID 4331799

288150-92-5

Structural Information

Molecular Formula
C19H18F2N4O
SMILES
CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26)
InChIKey
JTARFZSNUAGHRB-UHFFFAOYSA-N
Compound name
1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

112
Patents

356.14487 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15215 183.9
[M+Na]+ 379.13409 192.0
[M-H]- 355.13759 189.5
[M+NH4]+ 374.17869 196.5
[M+K]+ 395.10803 187.2
[M+H-H2O]+ 339.14213 172.3
[M+HCOO]- 401.14307 205.7
[M+CH3COO]- 415.15872 227.8
[M+Na-2H]- 377.11954 187.1
[M]+ 356.14432 183.0
[M]- 356.14542 183.0
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