CID 365292

Nsc632843

Structural Information

Molecular Formula
C19H18ClN5
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C19H18ClN5/c1-15-13-18(25(11-3-9-21)12-4-10-22)7-8-19(15)24-23-17-6-2-5-16(20)14-17/h2,5-8,13-14H,3-4,11-12H2,1H3
InChIKey
NZFAGPFREPVQQW-UHFFFAOYSA-N
Compound name
3-[4-[(3-chlorophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.12506 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13234 190.4
[M+Na]+ 374.11428 199.5
[M-H]- 350.11778 196.2
[M+NH4]+ 369.15888 199.7
[M+K]+ 390.08822 193.2
[M+H-H2O]+ 334.12232 173.0
[M+HCOO]- 396.12326 202.9
[M+CH3COO]- 410.13891 244.1
[M+Na-2H]- 372.09973 190.3
[M]+ 351.12451 185.4
[M]- 351.12561 185.4
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.