CID 3075349

7-chloro-2-propyl-1,2,3,4-tetrahydropyrido(4,3-b)quinoline

Structural Information

Molecular Formula
C16H20ClN5O
SMILES
CCCN1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NNC(=O)N
InChI
InChI=1S/C16H20ClN5O/c1-2-6-22-7-5-13-12(9-22)15(20-21-16(18)23)11-4-3-10(17)8-14(11)19-13/h3-4,8H,2,5-7,9H2,1H3,(H,19,20)(H3,18,21,23)
InChIKey
SMBWLTHVFVQZBI-UHFFFAOYSA-N
Compound name
[(7-chloro-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.13565 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14293 176.2
[M+Na]+ 356.12487 183.2
[M-H]- 332.12837 177.7
[M+NH4]+ 351.16947 189.4
[M+K]+ 372.09881 177.0
[M+H-H2O]+ 316.13291 167.9
[M+HCOO]- 378.13385 189.7
[M+CH3COO]- 392.14950 185.1
[M+Na-2H]- 354.11032 181.3
[M]+ 333.13510 175.2
[M]- 333.13620 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.