CID 413672

Nsc51057

Structural Information

Molecular Formula
C24H31ClN2O2
SMILES
CCCCN(CCCC)CCNC1=C2C(=C(C=C1)Cl)OC3=C(C2=O)C=CC(=C3)C
InChI
InChI=1S/C24H31ClN2O2/c1-4-6-13-27(14-7-5-2)15-12-26-20-11-10-19(25)24-22(20)23(28)18-9-8-17(3)16-21(18)29-24/h8-11,16,26H,4-7,12-15H2,1-3H3
InChIKey
SHKHSTJVEUCKII-UHFFFAOYSA-N
Compound name
4-chloro-1-[2-(dibutylamino)ethylamino]-6-methylxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2074 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21468 205.7
[M+Na]+ 437.19662 214.2
[M-H]- 413.20012 212.6
[M+NH4]+ 432.24122 218.7
[M+K]+ 453.17056 208.6
[M+H-H2O]+ 397.20466 197.0
[M+HCOO]- 459.20560 223.4
[M+CH3COO]- 473.22125 237.1
[M+Na-2H]- 435.18207 209.3
[M]+ 414.20685 216.4
[M]- 414.20795 216.4
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.