CID 116987

71033-15-3

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CN(C)CCCN1C(=O)C2=C(C1=O)C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H18N2O4/c1-22(2)8-5-9-23-20(26)16-10-14-15(11-17(16)21(23)27)19(25)13-7-4-3-6-12(13)18(14)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKey
XPDTWDUPQZXUMK-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 182.9
[M+Na]+ 385.11587 199.5
[M+NH4]+ 380.16047 190.3
[M+K]+ 401.08981 193.1
[M-H]- 361.11937 186.2
[M+Na-2H]- 383.10132 188.2
[M]+ 362.12610 186.3
[M]- 362.12720 186.3
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

No patent data available for this compound.