CID 16227073

99860-35-2

Structural Information

Molecular Formula
C11H12ClN5
SMILES
CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)Cl
InChI
InChI=1S/C11H12ClN5/c1-7(12)9-15-10(13)17-11(16-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,15,16,17)
InChIKey
HSOZFTGYXPQTLE-UHFFFAOYSA-N
Compound name
6-(1-chloroethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.085396 154.4
[M+Na]+ 272.067338 163.0
[M-H]- 248.070844 156.8
[M+NH4]+ 267.111943 167.5
[M+K]+ 288.041278 157.4
[M+H-H2O]+ 232.075380 145.2
[M+HCOO]- 294.076321 171.5
[M+CH3COO]- 308.091971 165.5
[M+Na-2H]- 270.052786 161.1
[M]+ 249.07757142 153.8
[M]- 249.07866858 153.8
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.