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

167
Patents

372.17975 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18703 187.9
[M+Na]+ 395.16897 193.2
[M-H]- 371.17247 190.4
[M+NH4]+ 390.21357 198.6
[M+K]+ 411.14291 187.2
[M+H-H2O]+ 355.17701 179.0
[M+HCOO]- 417.17795 203.9
[M+CH3COO]- 431.19360 221.8
[M+Na-2H]- 393.15442 185.9
[M]+ 372.17920 184.7
[M]- 372.18030 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