CID 48860

Brn 0569934

Structural Information

Molecular Formula
C14H22N6O2
SMILES
CC1(OCC(CO1)N(C)C2=NC(=NC(=N2)N3CC3)N4CC4)C
InChI
InChI=1S/C14H22N6O2/c1-14(2)21-8-10(9-22-14)18(3)11-15-12(19-4-5-19)17-13(16-11)20-6-7-20/h10H,4-9H2,1-3H3
InChIKey
WFNXWZHASDAMBK-UHFFFAOYSA-N
Compound name
4,6-bis(aziridin-1-yl)-N-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.18042 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 207.6
[M+Na]+ 329.16964 214.9
[M-H]- 305.17314 214.9
[M+NH4]+ 324.21424 205.4
[M+K]+ 345.14358 214.1
[M+H-H2O]+ 289.17768 197.0
[M+HCOO]- 351.17862 218.9
[M+CH3COO]- 365.19427 213.0
[M+Na-2H]- 327.15509 207.1
[M]+ 306.17987 211.0
[M]- 306.18097 211.0
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.