CID 116033

Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl-

Structural Information

Molecular Formula
C17H19I2N3
SMILES
CC1=C(C=CC(=C1)N(CCI)CCI)N=NC2=CC=CC=C2
InChI
InChI=1S/C17H19I2N3/c1-14-13-16(22(11-9-18)12-10-19)7-8-17(14)21-20-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKey
NEVDHPNJHDRGFF-UHFFFAOYSA-N
Compound name
N,N-bis(2-iodoethyl)-3-methyl-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.96686 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.97414 195.8
[M+Na]+ 541.95608 186.6
[M-H]- 517.95958 191.6
[M+NH4]+ 537.00068 200.9
[M+K]+ 557.93002 195.5
[M+H-H2O]+ 501.96412 180.0
[M+HCOO]- 563.96506 211.3
[M+CH3COO]- 577.98071 235.0
[M+Na-2H]- 539.94153 181.8
[M]+ 518.96631 192.6
[M]- 518.96741 192.6
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.