CID 18153

1,3,5-triazine-2,4-diamine, 6-chloro-n2-methyl-n4-(1-methylethyl)-

Structural Information

Molecular Formula
C7H12ClN5
SMILES
CC(C)NC1=NC(=NC(=N1)NC)Cl
InChI
InChI=1S/C7H12ClN5/c1-4(2)10-7-12-5(8)11-6(9-3)13-7/h4H,1-3H3,(H2,9,10,11,12,13)
InChIKey
KLJYRZOFJHYOCO-UHFFFAOYSA-N
Compound name
6-chloro-4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

215
Patents

201.07812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08540 143.2
[M+Na]+ 224.06734 152.1
[M-H]- 200.07084 143.1
[M+NH4]+ 219.11194 159.0
[M+K]+ 240.04128 148.7
[M+H-H2O]+ 184.07538 135.4
[M+HCOO]- 246.07632 160.8
[M+CH3COO]- 260.09197 190.2
[M+Na-2H]- 222.05279 150.1
[M]+ 201.07757 144.4
[M]- 201.07867 144.4
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

patents stripe