CID 99388

1,2,4,5-tetrazin-3-amine, 6-(4-chlorophenyl)-n,n-dimethyl-

Structural Information

Molecular Formula
C10H10ClN5
SMILES
CN(C)C1=NN=C(N=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClN5/c1-16(2)10-14-12-9(13-15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKey
BOAKVJFFLICDKC-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-N,N-dimethyl-1,2,4,5-tetrazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.06247 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06975 149.7
[M+Na]+ 258.05169 159.9
[M-H]- 234.05519 152.5
[M+NH4]+ 253.09629 163.1
[M+K]+ 274.02563 155.5
[M+H-H2O]+ 218.05973 139.4
[M+HCOO]- 280.06067 166.6
[M+CH3COO]- 294.07632 161.8
[M+Na-2H]- 256.03714 157.9
[M]+ 235.06192 152.5
[M]- 235.06302 152.5
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