CID 21116515

Dtxsid60885198

Structural Information

Molecular Formula
C32H42N4O6
SMILES
C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)N(CCO)CCO)C3=CC=C(C=C3)N(CCO)CCO)N(CCO)CCO
InChI
InChI=1S/C32H42N4O6/c33-25-32(26-1-7-29(8-2-26)34(13-19-37)14-20-38,27-3-9-30(10-4-27)35(15-21-39)16-22-40)28-5-11-31(12-6-28)36(17-23-41)18-24-42/h1-12,37-42H,13-24H2
InChIKey
AKWWNBKICNQKQU-UHFFFAOYSA-N
Compound name
2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.3104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.31768 243.9
[M+Na]+ 601.29962 243.1
[M-H]- 577.30312 245.3
[M+NH4]+ 596.34422 242.5
[M+K]+ 617.27356 239.4
[M+H-H2O]+ 561.30766 226.4
[M+HCOO]- 623.30860 254.7
[M+CH3COO]- 637.32425 264.1
[M+Na-2H]- 599.28507 240.9
[M]+ 578.30985 239.7
[M]- 578.31095 239.7
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.