CID 101004677

4-chloro-6-(ethylideneamino)-n-propan-2-yl-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C8H12ClN5
SMILES
CC=NC1=NC(=NC(=N1)NC(C)C)Cl
InChI
InChI=1S/C8H12ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h4-5H,1-3H3,(H,11,12,13,14)
InChIKey
AXIZDHRWYKKBBM-UHFFFAOYSA-N
Compound name
4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

213.07812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.085396 146.6
[M+Na]+ 236.067338 155.9
[M-H]- 212.070844 147.7
[M+NH4]+ 231.111943 162.6
[M+K]+ 252.041278 152.5
[M+H-H2O]+ 196.075380 138.4
[M+HCOO]- 258.076321 165.6
[M+CH3COO]- 272.091971 194.2
[M+Na-2H]- 234.052786 153.4
[M]+ 213.07757142 149.2
[M]- 213.07866858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.