CID 38642

40714-43-0

Structural Information

Molecular Formula
C30H37N3O3
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4
InChI
InChI=1S/C30H37N3O3/c1-6-32(7-2)21-20-30(24-15-9-8-10-16-24)25-17-11-12-18-26(25)33(29(30)34)31(3)22-23-14-13-19-27(35-4)28(23)36-5/h8-19H,6-7,20-22H2,1-5H3
InChIKey
QAHNYLOWHSOTJP-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[(2,3-dimethoxyphenyl)methyl-methylamino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.28348 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.29076 223.6
[M+Na]+ 510.27270 228.1
[M-H]- 486.27620 234.7
[M+NH4]+ 505.31730 234.6
[M+K]+ 526.24664 224.3
[M+H-H2O]+ 470.28074 211.7
[M+HCOO]- 532.28168 244.9
[M+CH3COO]- 546.29733 252.6
[M+Na-2H]- 508.25815 222.3
[M]+ 487.28293 230.6
[M]- 487.28403 230.6
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.