CID 2920952

Mls001212827

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CCCCC(=O)NC(C1=CC=C(C=C1)N(CC)CC)C2=C(C3=C(C=CC=N3)C=C2)O
InChI
InChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
InChIKey
WTVLPUWOVVAQKG-UHFFFAOYSA-N
Compound name
N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

9
Patents

405.24164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 202.8
[M+Na]+ 428.23086 205.8
[M-H]- 404.23436 207.8
[M+NH4]+ 423.27546 212.1
[M+K]+ 444.20480 201.1
[M+H-H2O]+ 388.23890 192.1
[M+HCOO]- 450.23984 221.2
[M+CH3COO]- 464.25549 233.8
[M+Na-2H]- 426.21631 203.6
[M]+ 405.24109 204.7
[M]- 405.24219 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe