CID 118444193

6-chloro-n2-(prop-2-yn-1-yl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C6H6ClN5
SMILES
C#CCNC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C6H6ClN5/c1-2-3-9-6-11-4(7)10-5(8)12-6/h1H,3H2,(H3,8,9,10,11,12)
InChIKey
WMKAGIHKIPLEHI-UHFFFAOYSA-N
Compound name
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.03117 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.038446 134.7
[M+Na]+ 206.020388 145.3
[M-H]- 182.023894 131.9
[M+NH4]+ 201.064993 148.3
[M+K]+ 221.994328 141.1
[M+H-H2O]+ 166.028430 120.7
[M+HCOO]- 228.029371 147.1
[M+CH3COO]- 242.045021 191.9
[M+Na-2H]- 204.005836 140.7
[M]+ 183.03062142 128.4
[M]- 183.03171858 128.4
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

patents stripe