CID 39164

Nsc680515

Structural Information

Molecular Formula
C16H15N3O
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2OC=C3
InChI
InChI=1S/C16H15N3O/c1-19(2)14-8-6-13(7-9-14)17-18-15-5-3-4-12-10-11-20-16(12)15/h3-11H,1-2H3
InChIKey
LHVRXAUETJRESN-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-7-yldiazenyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

265.12152 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 159.7
[M+Na]+ 288.11074 168.4
[M-H]- 264.11424 172.7
[M+NH4]+ 283.15534 178.9
[M+K]+ 304.08468 167.3
[M+H-H2O]+ 248.11878 151.0
[M+HCOO]- 310.11972 191.4
[M+CH3COO]- 324.13537 174.4
[M+Na-2H]- 286.09619 168.7
[M]+ 265.12097 165.3
[M]- 265.12207 165.3
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