CID 367994

Nsc638219

Structural Information

Molecular Formula
C17H14ClN5O
SMILES
COC1=C(C=CC(=C1)NCC(C#N)C#N)N=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H14ClN5O/c1-24-17-8-15(21-11-12(9-19)10-20)6-7-16(17)23-22-14-4-2-13(18)3-5-14/h2-8,12,21H,11H2,1H3
InChIKey
RHCCMWMRCRPEBD-UHFFFAOYSA-N
Compound name
2-[[4-[(4-chlorophenyl)diazenyl]-3-methoxyanilino]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.08868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09596 187.4
[M+Na]+ 362.07790 196.6
[M-H]- 338.08140 192.6
[M+NH4]+ 357.12250 196.5
[M+K]+ 378.05184 190.8
[M+H-H2O]+ 322.08594 170.4
[M+HCOO]- 384.08688 199.6
[M+CH3COO]- 398.10253 240.1
[M+Na-2H]- 360.06335 187.7
[M]+ 339.08813 181.7
[M]- 339.08923 181.7
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.