CID 577894

4'-iodo-4-dimethylaminoazobenzene

Structural Information

Molecular Formula
C14H14IN3
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)I
InChI
InChI=1S/C14H14IN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3
InChIKey
JSCFDMNXBTVUTH-UHFFFAOYSA-N
Compound name
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

351.02325 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03053 168.1
[M+Na]+ 374.01247 167.8
[M-H]- 350.01597 171.2
[M+NH4]+ 369.05707 181.5
[M+K]+ 389.98641 171.8
[M+H-H2O]+ 334.02051 155.3
[M+HCOO]- 396.02145 193.0
[M+CH3COO]- 410.03710 215.8
[M+Na-2H]- 371.99792 162.9
[M]+ 351.02270 167.1
[M]- 351.02380 167.1
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