CID 163867

Tk 11225

Structural Information

Molecular Formula
C45H84N12
SMILES
CCN(CC)C1=NC(=NC(=N1)N(C=NC2CC(NC(C2)(C)C)(C)C)C3CC(NC(C3)(C)C)(C)C)N(C=NC4CC(NC(C4)(C)C)(C)C)C5CC(NC(C5)(C)C)(C)C
InChI
InChI=1S/C45H84N12/c1-19-55(20-2)35-48-36(56(33-25-42(11,12)53-43(13,14)26-33)29-46-31-21-38(3,4)51-39(5,6)22-31)50-37(49-35)57(34-27-44(15,16)54-45(17,18)28-34)30-47-32-23-40(7,8)52-41(9,10)24-32/h29-34,51-54H,19-28H2,1-18H3
InChIKey
JZVDGAMNKMBSCN-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]amino]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

792.6942 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.70148 247.8
[M+Na]+ 815.68342 248.7
[M-H]- 791.68692 251.9
[M+NH4]+ 810.72802 249.5
[M+K]+ 831.65736 248.8
[M+H-H2O]+ 775.69146 236.0
[M+HCOO]- 837.69240 246.1
[M+CH3COO]- 851.70805 309.6
[M+Na-2H]- 813.66887 272.3
[M]+ 792.69365 243.2
[M]- 792.69475 243.2
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

No patent data available for this compound.