CID 5018112

Desethylsebutylazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

201.07812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.085396 143.5
[M+Na]+ 224.067338 152.4
[M-H]- 200.070844 142.9
[M+NH4]+ 219.111943 159.0
[M+K]+ 240.041278 148.6
[M+H-H2O]+ 184.075380 135.8
[M+HCOO]- 246.076321 160.5
[M+CH3COO]- 260.091971 189.6
[M+Na-2H]- 222.052786 149.3
[M]+ 201.07757142 143.6
[M]- 201.07866858 143.6
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