CID 350093

Nsc507153

Structural Information

Molecular Formula
C22H24Br2N2O2
SMILES
CCCCNC1=C2C(=C(C=C1)Br)C(=O)C3=C(C=CC(=C3C2=O)Br)NCCCC
InChI
InChI=1S/C22H24Br2N2O2/c1-3-5-11-25-15-9-7-13(23)17-19(15)21(27)18-14(24)8-10-16(20(18)22(17)28)26-12-6-4-2/h7-10,25-26H,3-6,11-12H2,1-2H3
InChIKey
ZDKHYHULCQWZTF-UHFFFAOYSA-N
Compound name
1,5-dibromo-4,8-bis(butylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.02045 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.02773 192.7
[M+Na]+ 529.00967 200.8
[M-H]- 505.01317 199.4
[M+NH4]+ 524.05427 206.1
[M+K]+ 544.98361 183.5
[M+H-H2O]+ 489.01771 197.1
[M+HCOO]- 551.01865 205.2
[M+CH3COO]- 565.03430 241.5
[M+Na-2H]- 526.99512 195.1
[M]+ 506.01990 227.8
[M]- 506.02100 227.8
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.