CID 49968

Metazine

Structural Information

Molecular Formula
C11H19N7
SMILES
CC(C)NC1=NC(=NC(=N1)N(C)C#N)NC(C)C
InChI
InChI=1S/C11H19N7/c1-7(2)13-9-15-10(14-8(3)4)17-11(16-9)18(5)6-12/h7-8H,1-5H3,(H2,13,14,15,16,17)
InChIKey
XMLHQGBTKIZHSK-UHFFFAOYSA-N
Compound name
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

18
Patents

249.1702 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.17748 157.6
[M+Na]+ 272.15942 163.6
[M-H]- 248.16292 157.3
[M+NH4]+ 267.20402 168.6
[M+K]+ 288.13336 163.7
[M+H-H2O]+ 232.16746 141.1
[M+HCOO]- 294.16840 174.9
[M+CH3COO]- 308.18405 218.6
[M+Na-2H]- 270.14487 160.9
[M]+ 249.16965 152.4
[M]- 249.17075 152.4
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