CID 365299

Nsc632850

Structural Information

Molecular Formula
C20H20BrN5
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)Br
InChI
InChI=1S/C20H20BrN5/c1-15-5-7-20(18(21)13-15)25-24-19-8-6-17(14-16(19)2)26(11-3-9-22)12-4-10-23/h5-8,13-14H,3-4,11-12H2,1-2H3
InChIKey
KTQYMHQOZGQFBR-UHFFFAOYSA-N
Compound name
3-[4-[(2-bromo-4-methylphenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09748 187.7
[M+Na]+ 432.07942 198.1
[M-H]- 408.08292 193.0
[M+NH4]+ 427.12402 197.2
[M+K]+ 448.05336 186.8
[M+H-H2O]+ 392.08746 173.4
[M+HCOO]- 454.08840 204.3
[M+CH3COO]- 468.10405 248.3
[M+Na-2H]- 430.06487 188.0
[M]+ 409.08965 193.4
[M]- 409.09075 193.4
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.