CID 304458

Nsc196464

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NCCCN(C)C
InChI
InChI=1S/C20H23N3O2/c1-12-11-15(22-9-6-10-23(2)3)16-17(18(12)21)20(25)14-8-5-4-7-13(14)19(16)24/h4-5,7-8,11,22H,6,9-10,21H2,1-3H3
InChIKey
OKGKEGPUIHEUTD-UHFFFAOYSA-N
Compound name
1-amino-4-[3-(dimethylamino)propylamino]-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

337.17902 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 180.3
[M+Na]+ 360.168238 187.9
[M-H]- 336.171744 186.6
[M+NH4]+ 355.212843 196.1
[M+K]+ 376.142178 183.7
[M+H-H2O]+ 320.176280 172.0
[M+HCOO]- 382.177221 202.6
[M+CH3COO]- 396.192871 227.7
[M+Na-2H]- 358.153686 183.3
[M]+ 337.17847142 182.0
[M]- 337.17956858 182.0
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