CID 515696

Schembl11830304

Structural Information

Molecular Formula
C26H32N2O2
SMILES
CC(CN(C)C)OC1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)OC(C)CN(C)C
InChI
InChI=1S/C26H32N2O2/c1-17(15-27(3)4)29-19-10-11-20-21-8-7-9-23-25(30-18(2)16-28(5)6)13-12-22(26(21)23)24(20)14-19/h7-14,17-18H,15-16H2,1-6H3
InChIKey
VMAJILONDMSZPV-UHFFFAOYSA-N
Compound name
2-[4-[1-(dimethylamino)propan-2-yloxy]fluoranthen-8-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

404.24637 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.25365 205.1
[M+Na]+ 427.23559 209.3
[M-H]- 403.23909 212.3
[M+NH4]+ 422.28019 221.4
[M+K]+ 443.20953 206.9
[M+H-H2O]+ 387.24363 196.2
[M+HCOO]- 449.24457 224.6
[M+CH3COO]- 463.26022 242.5
[M+Na-2H]- 425.22104 205.0
[M]+ 404.24582 213.3
[M]- 404.24692 213.3
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