CID 36443

Brn 0502699

Structural Information

Molecular Formula
C28H33N3O
SMILES
CC1=CC=CC=C1CN(C)N2C3=CC=CC=C3C(C2=O)(CCCN(C)C)C4=CC=CC=C4
InChI
InChI=1S/C28H33N3O/c1-22-13-8-9-14-23(22)21-30(4)31-26-18-11-10-17-25(26)28(27(31)32,19-12-20-29(2)3)24-15-6-5-7-16-24/h5-11,13-18H,12,19-21H2,1-4H3
InChIKey
WZZRAVDWORLTFS-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.26236 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.26964 209.1
[M+Na]+ 450.25158 214.1
[M-H]- 426.25508 220.3
[M+NH4]+ 445.29618 222.5
[M+K]+ 466.22552 209.0
[M+H-H2O]+ 410.25962 197.5
[M+HCOO]- 472.26056 230.9
[M+CH3COO]- 486.27621 241.5
[M+Na-2H]- 448.23703 208.9
[M]+ 427.26181 212.3
[M]- 427.26291 212.3
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.