CID 96537

73826-32-1

Structural Information

Molecular Formula
C24H26N6O2
SMILES
C1=CC=C2C(=C1)C(=C(C(=C2CN(CCC#N)CCC#N)O)O)CN(CCC#N)CCC#N
InChI
InChI=1S/C24H26N6O2/c25-9-3-13-29(14-4-10-26)17-21-19-7-1-2-8-20(19)22(24(32)23(21)31)18-30(15-5-11-27)16-6-12-28/h1-2,7-8,31-32H,3-6,13-18H2
InChIKey
UUWDNSITWXTZIY-UHFFFAOYSA-N
Compound name
3-[[4-[[bis(2-cyanoethyl)amino]methyl]-2,3-dihydroxynaphthalen-1-yl]methyl-(2-cyanoethyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.21173 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21901 215.4
[M+Na]+ 453.20095 216.9
[M+NH4]+ 448.24555 213.4
[M+K]+ 469.17489 210.5
[M-H]- 429.20445 209.7
[M+Na-2H]- 451.18640 210.7
[M]+ 430.21118 213.3
[M]- 430.21228 213.3
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.