CID 36454

33391-50-3

Structural Information

Molecular Formula
C25H29N3OS
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3OS/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
DMLQYXRUADYZFZ-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20312 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21040 200.8
[M+Na]+ 442.19234 212.2
[M+NH4]+ 437.23694 210.9
[M+K]+ 458.16628 203.4
[M-H]- 418.19584 208.2
[M+Na-2H]- 440.17779 210.2
[M]+ 419.20257 205.2
[M]- 419.20367 205.2
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.