CID 85325313

760952-88-3

Structural Information

Molecular Formula
C18H30N10O3
SMILES
C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO
InChI
InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2
InChIKey
VAKXPQHQQNOUEZ-UHFFFAOYSA-N
Compound name
3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2926
Patents

434.25024 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25752 196.2
[M+Na]+ 457.23946 204.0
[M+NH4]+ 452.28406 196.2
[M+K]+ 473.21340 207.6
[M-H]- 433.24296 193.5
[M+Na-2H]- 455.22491 199.6
[M]+ 434.24969 195.8
[M]- 434.25079 195.8
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