CID 116987

1h-naphth[2,3-f]isoindole-1,3,5,10(2h)-tetrone, 2-[3-(dimethylamino)propyl]-

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 183.0
[M+Na]+ 385.11587 196.6
[M-H]- 361.11937 191.3
[M+NH4]+ 380.16047 200.2
[M+K]+ 401.08981 191.3
[M+H-H2O]+ 345.12391 174.7
[M+HCOO]- 407.12485 207.4
[M+CH3COO]- 421.14050 224.5
[M+Na-2H]- 383.10132 187.8
[M]+ 362.12610 193.2
[M]- 362.12720 193.2
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.