CID 498042

Nsc13484

Structural Information

Molecular Formula
C25H33N3O
SMILES
CCN(CC)CCCC(C)NC1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C25H33N3O/c1-5-28(6-2)16-10-11-19(3)26-25-18-23(20-12-8-7-9-13-20)27-24-17-21(29-4)14-15-22(24)25/h7-9,12-15,17-19H,5-6,10-11,16H2,1-4H3,(H,26,27)
InChIKey
BZGJTNMHBWLFNW-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

391.26236 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 200.9
[M+Na]+ 414.25158 204.5
[M-H]- 390.25508 207.1
[M+NH4]+ 409.29618 211.7
[M+K]+ 430.22552 199.8
[M+H-H2O]+ 374.25962 189.7
[M+HCOO]- 436.26056 221.4
[M+CH3COO]- 450.27621 234.4
[M+Na-2H]- 412.23703 203.0
[M]+ 391.26181 204.6
[M]- 391.26291 204.6
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

patents stripe