CID 328165

Nsc305842

Structural Information

Molecular Formula
C21H33N3O
SMILES
CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCCNC(C)C)OC
InChI
InChI=1S/C21H33N3O/c1-16(2)22-11-8-6-5-7-9-12-23-20-15-18(25-4)14-19-17(3)10-13-24-21(19)20/h10,13-16,22-23H,5-9,11-12H2,1-4H3
InChIKey
PJRPWYSCZZUDOH-UHFFFAOYSA-N
Compound name
N-(6-methoxy-4-methylquinolin-8-yl)-N'-propan-2-ylheptane-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 188.7
[M+Na]+ 366.25158 192.8
[M-H]- 342.25508 190.6
[M+NH4]+ 361.29618 201.6
[M+K]+ 382.22552 188.2
[M+H-H2O]+ 326.25962 179.4
[M+HCOO]- 388.26056 208.9
[M+CH3COO]- 402.27621 223.6
[M+Na-2H]- 364.23703 191.1
[M]+ 343.26181 192.5
[M]- 343.26291 192.5
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.