CID 199581

4449-95-0

Structural Information

Molecular Formula
C14H19ClN8
SMILES
CCN(CCCl)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N
InChI
InChI=1S/C14H19ClN8/c1-2-23(8-7-15)10-5-3-9(4-6-10)21-22-11-12(16)19-14(18)20-13(11)17/h3-6H,2,7-8H2,1H3,(H6,16,17,18,19,20)
InChIKey
BZAFNEONRJEMMI-UHFFFAOYSA-N
Compound name
5-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14940 177.3
[M+Na]+ 357.13134 187.7
[M+NH4]+ 352.17594 183.4
[M+K]+ 373.10528 181.4
[M-H]- 333.13484 183.8
[M+Na-2H]- 355.11679 184.9
[M]+ 334.14157 180.5
[M]- 334.14267 180.5
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.