CID 103142

65072-49-3

Structural Information

Molecular Formula
C22H20N8O
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=NC(=C(N3)C#N)C#N)NC(=O)C
InChI
InChI=1S/C22H20N8O/c1-3-30(14-16-7-5-4-6-8-16)17-9-10-18(19(11-17)25-15(2)31)28-29-22-26-20(12-23)21(13-24)27-22/h4-11H,3,14H2,1-2H3,(H,25,31)(H,26,27)
InChIKey
DQQYTOTXOKNGHQ-UHFFFAOYSA-N
Compound name
N-[5-[benzyl(ethyl)amino]-2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.176 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18328 203.7
[M+Na]+ 435.16522 210.0
[M-H]- 411.16872 207.1
[M+NH4]+ 430.20982 208.1
[M+K]+ 451.13916 204.5
[M+H-H2O]+ 395.17326 182.8
[M+HCOO]- 457.17420 216.2
[M+CH3COO]- 471.18985 251.4
[M+Na-2H]- 433.15067 201.3
[M]+ 412.17545 194.9
[M]- 412.17655 194.9
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.