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]+ 352.132336 190.4
[M+Na]+ 374.114278 199.5
[M-H]- 350.117784 196.2
[M+NH4]+ 369.158883 199.7
[M+K]+ 390.088218 193.2
[M+H-H2O]+ 334.122320 173.0
[M+HCOO]- 396.123261 202.9
[M+CH3COO]- 410.138911 244.1
[M+Na-2H]- 372.099726 190.3
[M]+ 351.12451142 185.4
[M]- 351.12560858 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.