CID 6455329

6647-34-3

Structural Information

Molecular Formula
C21H20N4O4
SMILES
CN(C)CCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C21H20N4O4/c1-24(2)8-5-9-25-20(28)14-15(21(25)29)17(23)13-12(16(14)22)18(26)10-6-3-4-7-11(10)19(13)27/h3-4,6-7H,5,8-9,22-23H2,1-2H3
InChIKey
IXKBJZDGNPAGFW-UHFFFAOYSA-N
Compound name
4,11-diamino-2-[3-(dimethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

392.14847 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 192.5
[M+Na]+ 415.13769 205.7
[M-H]- 391.14119 200.4
[M+NH4]+ 410.18229 207.7
[M+K]+ 431.11163 200.6
[M+H-H2O]+ 375.14573 184.2
[M+HCOO]- 437.14667 217.4
[M+CH3COO]- 451.16232 237.0
[M+Na-2H]- 413.12314 195.4
[M]+ 392.14792 200.4
[M]- 392.14902 200.4
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