CID 3069069

Brn 5972079

Structural Information

Molecular Formula
C21H33N3O
SMILES
CCN(CC)CCCC(C)NC1=CC2=C(C(=C1)OC)N=C(C=C2C)C
InChI
InChI=1S/C21H33N3O/c1-7-24(8-2)11-9-10-16(4)22-18-13-19-15(3)12-17(5)23-21(19)20(14-18)25-6/h12-14,16,22H,7-11H2,1-6H3
InChIKey
GPGPYPPWZMEGJD-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(8-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.26236 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 189.7
[M+Na]+ 366.25158 195.0
[M-H]- 342.25508 193.5
[M+NH4]+ 361.29618 203.5
[M+K]+ 382.22552 191.8
[M+H-H2O]+ 326.25962 180.5
[M+HCOO]- 388.26056 210.3
[M+CH3COO]- 402.27621 228.2
[M+Na-2H]- 364.23703 190.6
[M]+ 343.26181 195.2
[M]- 343.26291 195.2
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.