CID 3032431

Wl 9385

Structural Information

Molecular Formula
C9H16N8
SMILES
CCNC1=NC(=NC(=N1)N=[N+]=[N-])NC(C)(C)C
InChI
InChI=1S/C9H16N8/c1-5-11-6-12-7(15-9(2,3)4)14-8(13-6)16-17-10/h5H2,1-4H3,(H2,11,12,13,14,15)
InChIKey
CWBIZQSLPWYJSD-UHFFFAOYSA-N
Compound name
6-azido-2-N-tert-butyl-4-N-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

236.1498 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15708 151.4
[M+Na]+ 259.13902 158.1
[M-H]- 235.14252 154.5
[M+NH4]+ 254.18362 165.1
[M+K]+ 275.11296 151.6
[M+H-H2O]+ 219.14706 146.6
[M+HCOO]- 281.14800 179.2
[M+CH3COO]- 295.16365 201.1
[M+Na-2H]- 257.12447 164.9
[M]+ 236.14925 149.2
[M]- 236.15035 149.2
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