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]+ 184.03845 134.7
[M+Na]+ 206.02039 145.3
[M-H]- 182.02389 131.9
[M+NH4]+ 201.06499 148.3
[M+K]+ 221.99433 141.1
[M+H-H2O]+ 166.02843 120.7
[M+HCOO]- 228.02937 147.1
[M+CH3COO]- 242.04502 191.9
[M+Na-2H]- 204.00584 140.7
[M]+ 183.03062 128.4
[M]- 183.03172 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