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]+ 214.08540 146.6
[M+Na]+ 236.06734 155.9
[M-H]- 212.07084 147.7
[M+NH4]+ 231.11194 162.6
[M+K]+ 252.04128 152.5
[M+H-H2O]+ 196.07538 138.4
[M+HCOO]- 258.07632 165.6
[M+CH3COO]- 272.09197 194.2
[M+Na-2H]- 234.05279 153.4
[M]+ 213.07757 149.2
[M]- 213.07867 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.