CID 36452

Brn 0504364

Structural Information

Molecular Formula
C29H34ClN3O2
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=C(C(=CC=C3)OC)Cl)C4=CC=CC=C4
InChI
InChI=1S/C29H34ClN3O2/c1-5-32(6-2)20-19-29(23-14-8-7-9-15-23)24-16-10-11-17-25(24)33(28(29)34)31(3)21-22-13-12-18-26(35-4)27(22)30/h7-18H,5-6,19-21H2,1-4H3
InChIKey
RZGMPXKESNTYNP-UHFFFAOYSA-N
Compound name
1-[(2-chloro-3-methoxyphenyl)methyl-methylamino]-3-[2-(diethylamino)ethyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.23395 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.24123 224.4
[M+Na]+ 514.22317 230.4
[M-H]- 490.22667 235.5
[M+NH4]+ 509.26777 236.3
[M+K]+ 530.19711 224.5
[M+H-H2O]+ 474.23121 213.2
[M+HCOO]- 536.23215 241.4
[M+CH3COO]- 550.24780 250.9
[M+Na-2H]- 512.20862 222.7
[M]+ 491.23340 232.2
[M]- 491.23450 232.2
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.