CID 131999664

2375194-37-7

Structural Information

Molecular Formula
C19H24N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCN
InChI
InChI=1S/C19H24N4O4/c20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25/h5-7,14,21H,1-4,8-11,20H2,(H,22,24,25)
InChIKey
RIRBCYNKTDWXEI-UHFFFAOYSA-N
Compound name
4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

372.17975 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.187026 187.9
[M+Na]+ 395.168968 193.2
[M-H]- 371.172474 190.4
[M+NH4]+ 390.213573 198.6
[M+K]+ 411.142908 187.2
[M+H-H2O]+ 355.177010 179.0
[M+HCOO]- 417.177951 203.9
[M+CH3COO]- 431.193601 221.8
[M+Na-2H]- 393.154416 185.9
[M]+ 372.17920142 184.7
[M]- 372.18029858 184.7
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