CID 66746559

1359963-68-0

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CC1=C(C(=C2C(=N1)C=CC=C2OCC(C)(C)C(=O)NC(C)C)N)C(=O)O
InChI
InChI=1S/C19H25N3O4/c1-10(2)21-18(25)19(4,5)9-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(3)22-12/h6-8,10H,9H2,1-5H3,(H2,20,22)(H,21,25)(H,23,24)
InChIKey
RHXLOOCFQPJWBW-UHFFFAOYSA-N
Compound name
4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

148
Patents

359.1845 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 185.7
[M+Na]+ 382.17372 194.1
[M+NH4]+ 377.21832 189.6
[M+K]+ 398.14766 191.3
[M-H]- 358.17722 185.3
[M+Na-2H]- 380.15917 187.2
[M]+ 359.18395 186.3
[M]- 359.18505 186.3
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