CID 365300

Nsc632851

Structural Information

Molecular Formula
C19H17Cl2N5
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C19H17Cl2N5/c1-14-12-16(26(10-2-8-22)11-3-9-23)5-7-18(14)24-25-19-13-15(20)4-6-17(19)21/h4-7,12-13H,2-3,10-11H2,1H3
InChIKey
YOLIPHNSVNCXLF-UHFFFAOYSA-N
Compound name
3-[N-(2-cyanoethyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0861 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.09338 194.6
[M+Na]+ 408.07532 204.8
[M-H]- 384.07882 200.2
[M+NH4]+ 403.11992 203.6
[M+K]+ 424.04926 197.6
[M+H-H2O]+ 368.08336 178.2
[M+HCOO]- 430.08430 204.0
[M+CH3COO]- 444.09995 247.1
[M+Na-2H]- 406.06077 193.6
[M]+ 385.08555 191.0
[M]- 385.08665 191.0
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.