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 203.4
[M+Na]+ 442.19234 209.7
[M-H]- 418.19584 215.4
[M+NH4]+ 437.23694 220.0
[M+K]+ 458.16628 205.2
[M+H-H2O]+ 402.20038 194.6
[M+HCOO]- 464.20132 222.7
[M+CH3COO]- 478.21697 213.5
[M+Na-2H]- 440.17779 201.7
[M]+ 419.20257 209.3
[M]- 419.20367 209.3
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.