CID 36453

Brn 0502425

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]+ 404.23326 200.0
[M+Na]+ 426.21520 205.5
[M-H]- 402.21870 212.6
[M+NH4]+ 421.25980 214.9
[M+K]+ 442.18914 202.9
[M+H-H2O]+ 386.22324 190.4
[M+HCOO]- 448.22418 223.2
[M+CH3COO]- 462.23983 233.7
[M+Na-2H]- 424.20065 200.2
[M]+ 403.22543 205.0
[M]- 403.22653 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.