CID 151694

Benzenediazonium, 2-methoxy-5-methyl-4-(2-(4-methyl-2-nitrophenyl)diazenyl)-, (t-4)-tetrachlorozincate(2-) (2:1)

Structural Information

Molecular Formula
C15H14N5O3
SMILES
CC1=CC(=C(C=C1)N=NC2=CC(=C(C=C2C)[N+]#N)OC)[N+](=O)[O-]
InChI
InChI=1S/C15H14N5O3/c1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2/h4-8H,1-3H3/q+1
InChIKey
MNGIEBPLECQOJF-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

102
Patents

312.10965 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11693 180.4
[M+Na]+ 335.09887 188.9
[M-H]- 311.10237 189.2
[M+NH4]+ 330.14347 192.7
[M+K]+ 351.07281 178.0
[M+H-H2O]+ 295.10691 170.8
[M+HCOO]- 357.10785 206.4
[M+CH3COO]- 371.12350 219.0
[M+Na-2H]- 333.08432 187.5
[M]+ 312.10910 176.7
[M]- 312.11020 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe