CID 36453

33391-49-0

Structural Information

Molecular Formula
C25H29N3O2
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CO3)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3O2/c1-26(2)17-10-16-25(20-11-5-4-6-12-20)22-14-7-8-15-23(22)28(24(25)29)27(3)19-21-13-9-18-30-21/h4-9,11-15,18H,10,16-17,19H2,1-3H3
InChIKey
VUMFPXTVBPBJSQ-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[furan-2-ylmethyl(methyl)amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.22598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.233256 200.0
[M+Na]+ 426.215198 205.5
[M-H]- 402.218704 212.6
[M+NH4]+ 421.259803 214.9
[M+K]+ 442.189138 202.9
[M+H-H2O]+ 386.223240 190.4
[M+HCOO]- 448.224181 223.2
[M+CH3COO]- 462.239831 233.7
[M+Na-2H]- 424.200646 200.2
[M]+ 403.22543142 205.0
[M]- 403.22652858 205.0
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.