CID 104243

52583-53-6

Structural Information

Molecular Formula
C18H19Br2N5O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)NC(=O)C
InChI
InChI=1S/C18H19Br2N5O3/c1-4-24(5-2)12-6-7-16(17(10-12)21-11(3)26)22-23-18-14(19)8-13(25(27)28)9-15(18)20/h6-10H,4-5H2,1-3H3,(H,21,26)
InChIKey
IXGHTHFLINQRFX-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dibromo-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

510.98547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.99275 195.5
[M+Na]+ 533.97469 201.1
[M-H]- 509.97819 206.1
[M+NH4]+ 529.01929 206.5
[M+K]+ 549.94863 182.3
[M+H-H2O]+ 493.98273 199.3
[M+HCOO]- 555.98367 215.1
[M+CH3COO]- 569.99932 243.2
[M+Na-2H]- 531.96014 198.7
[M]+ 510.98492 230.3
[M]- 510.98602 230.3
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

patents stripe