CID 3088035

116870-77-0

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC(C)NCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N
InChI
InChI=1S/C19H23N3O/c1-13(2)21-11-12-22-18(16-9-5-6-10-17(16)20)14-7-3-4-8-15(14)19(22)23/h3-10,13,18,21H,11-12,20H2,1-2H3
InChIKey
BNCKFCQXEPCISM-UHFFFAOYSA-N
Compound name
3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 175.1
[M+Na]+ 332.173318 181.6
[M-H]- 308.176824 181.0
[M+NH4]+ 327.217923 190.7
[M+K]+ 348.147258 176.2
[M+H-H2O]+ 292.181360 166.6
[M+HCOO]- 354.182301 196.4
[M+CH3COO]- 368.197951 213.6
[M+Na-2H]- 330.158766 176.0
[M]+ 309.18355142 173.9
[M]- 309.18464858 173.9
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