CID 498038

Nsc11050

Structural Information

Molecular Formula
C20H30ClN3
SMILES
CC1=CN=C2C=C(C=CC2=C1NCCN(CC(C)C)CC(C)C)Cl
InChI
InChI=1S/C20H30ClN3/c1-14(2)12-24(13-15(3)4)9-8-22-20-16(5)11-23-19-10-17(21)6-7-18(19)20/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3,(H,22,23)
InChIKey
RGLMFCRDXLXIBE-UHFFFAOYSA-N
Compound name
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.21283 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.22011 188.5
[M+Na]+ 370.20205 193.9
[M-H]- 346.20555 192.0
[M+NH4]+ 365.24665 202.8
[M+K]+ 386.17599 189.0
[M+H-H2O]+ 330.21009 180.4
[M+HCOO]- 392.21103 203.8
[M+CH3COO]- 406.22668 226.3
[M+Na-2H]- 368.18750 188.9
[M]+ 347.21228 193.5
[M]- 347.21338 193.5
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.