CID 3088039

116870-79-2

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCNC1=CC=CC=C1C2C3=CC=CC=C3C(=O)N2CCN(CC)CC
InChI
InChI=1S/C22H29N3O/c1-4-23-20-14-10-9-13-19(20)21-17-11-7-8-12-18(17)22(26)25(21)16-15-24(5-2)6-3/h7-14,21,23H,4-6,15-16H2,1-3H3
InChIKey
IYGDVJFRZXHOTH-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

351.23105 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.4
[M+Na]+ 374.22027 193.9
[M-H]- 350.22377 195.5
[M+NH4]+ 369.26487 203.2
[M+K]+ 390.19421 188.9
[M+H-H2O]+ 334.22831 178.8
[M+HCOO]- 396.22925 210.7
[M+CH3COO]- 410.24490 225.4
[M+Na-2H]- 372.20572 189.0
[M]+ 351.23050 190.9
[M]- 351.23160 190.9
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