CID 39292

2h-indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-phenyl-, fumarate, hydrate (1:1:1)

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-20(2)13-8-14-21-17-12-7-6-11-16(17)18(19(21)22)15-9-4-3-5-10-15/h3-7,9-12,18H,8,13-14H2,1-2H3
InChIKey
YACUGNZNUWOYIG-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-phenyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.3
[M+Na]+ 317.16244 178.2
[M-H]- 293.16594 178.7
[M+NH4]+ 312.20704 188.6
[M+K]+ 333.13638 173.9
[M+H-H2O]+ 277.17048 162.5
[M+HCOO]- 339.17142 193.7
[M+CH3COO]- 353.18707 210.3
[M+Na-2H]- 315.14789 173.6
[M]+ 294.17267 173.1
[M]- 294.17377 173.1
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

patents stripe