CID 163462

Tk 12997

Structural Information

Molecular Formula
C42H72N14
SMILES
CC1(CC(CC(N1)(C)C)N(CCCCCCN(C2CC(NC(C2)(C)C)(C)C)C3=NC(=NC(=N3)NCC=C)NCC=C)C4=NC(=NC(=N4)NCC=C)NCC=C)C
InChI
InChI=1S/C42H72N14/c1-13-21-43-33-47-34(44-22-14-2)50-37(49-33)55(31-27-39(5,6)53-40(7,8)28-31)25-19-17-18-20-26-56(32-29-41(9,10)54-42(11,12)30-32)38-51-35(45-23-15-3)48-36(52-38)46-24-16-4/h13-16,31-32,53-54H,1-4,17-30H2,5-12H3,(H2,43,44,47,49,50)(H2,45,46,48,51,52)
InChIKey
UAZYLKSUESKEDW-UHFFFAOYSA-N
Compound name
2-N-[6-[[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,6-N-bis(prop-2-enyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

772.60645 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.61373 268.6
[M+Na]+ 795.59567 267.4
[M-H]- 771.59917 269.3
[M+NH4]+ 790.64027 260.9
[M+K]+ 811.56961 260.2
[M+H-H2O]+ 755.60371 255.2
[M+HCOO]- 817.60465 273.3
[M+CH3COO]- 831.62030 310.9
[M+Na-2H]- 793.58112 270.5
[M]+ 772.60590 266.2
[M]- 772.60700 266.2
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