CID 36446

Brn 0503520

Structural Information

Molecular Formula
C29H35N3O2
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC(=CC=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C29H35N3O2/c1-5-31(6-2)20-19-29(24-14-8-7-9-15-24)26-17-10-11-18-27(26)32(28(29)33)30(3)22-23-13-12-16-25(21-23)34-4/h7-18,21H,5-6,19-20,22H2,1-4H3
InChIKey
VIBXNQHVGLDRKB-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.27292 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.28020 216.4
[M+Na]+ 480.26214 220.7
[M-H]- 456.26564 227.4
[M+NH4]+ 475.30674 228.5
[M+K]+ 496.23608 216.2
[M+H-H2O]+ 440.27018 204.5
[M+HCOO]- 502.27112 238.0
[M+CH3COO]- 516.28677 246.4
[M+Na-2H]- 478.24759 216.0
[M]+ 457.27237 221.3
[M]- 457.27347 221.3
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.