CID 3041987

S-triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-

Structural Information

Molecular Formula
C7H10F3N5
SMILES
CC(C)NC1=NC(=NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C7H10F3N5/c1-3(2)12-6-14-4(7(8,9)10)13-5(11)15-6/h3H,1-2H3,(H3,11,12,13,14,15)
InChIKey
CWLWGVAGWHMGRJ-UHFFFAOYSA-N
Compound name
2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09612 146.1
[M+Na]+ 244.07806 155.1
[M-H]- 220.08156 142.1
[M+NH4]+ 239.12266 160.0
[M+K]+ 260.05200 152.1
[M+H-H2O]+ 204.08610 135.7
[M+HCOO]- 266.08704 163.0
[M+CH3COO]- 280.10269 193.8
[M+Na-2H]- 242.06351 151.4
[M]+ 221.08829 140.4
[M]- 221.08939 140.4
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

No patent data available for this compound.