CID 210879

21840-23-3

Structural Information

Molecular Formula
C7H13N7
SMILES
C1CN(CCN1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C7H13N7/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2,(H4,8,9,11,12,13)
InChIKey
KIBBUGBJMBIZHY-UHFFFAOYSA-N
Compound name
6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

195.12325 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13053 146.5
[M+Na]+ 218.11247 153.3
[M-H]- 194.11597 144.2
[M+NH4]+ 213.15707 157.1
[M+K]+ 234.08641 148.5
[M+H-H2O]+ 178.12051 136.4
[M+HCOO]- 240.12145 161.5
[M+CH3COO]- 254.13710 155.6
[M+Na-2H]- 216.09792 152.4
[M]+ 195.12270 137.3
[M]- 195.12380 137.3
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