CID 27306

N,n'-diallyl-6-chloro-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C9H12ClN5
SMILES
C=CCNC1=NC(=NC(=N1)Cl)NCC=C
InChI
InChI=1S/C9H12ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey
JVNONOVWALQTEB-UHFFFAOYSA-N
Compound name
6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

225.07812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08540 150.0
[M+Na]+ 248.06734 158.8
[M-H]- 224.07084 149.4
[M+NH4]+ 243.11194 164.6
[M+K]+ 264.04128 153.2
[M+H-H2O]+ 208.07538 141.8
[M+HCOO]- 270.07632 168.2
[M+CH3COO]- 284.09197 193.7
[M+Na-2H]- 246.05279 157.0
[M]+ 225.07757 151.0
[M]- 225.07867 151.0
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.