CID 4099877

56672-91-4

Structural Information

Molecular Formula
C15H14N4O2
SMILES
C1=CC(=CC=C1C(=C(C#N)C#N)C#N)N(CCO)CCO
InChI
InChI=1S/C15H14N4O2/c16-9-13(10-17)15(11-18)12-1-3-14(4-2-12)19(5-7-20)6-8-21/h1-4,20-21H,5-8H2
InChIKey
XIKHTCQHDCGMQI-UHFFFAOYSA-N
Compound name
2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

282.11166 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 179.9
[M+Na]+ 305.10088 185.9
[M-H]- 281.10438 182.7
[M+NH4]+ 300.14548 185.5
[M+K]+ 321.07482 183.1
[M+H-H2O]+ 265.10892 166.5
[M+HCOO]- 327.10986 184.0
[M+CH3COO]- 341.12551 240.8
[M+Na-2H]- 303.08633 176.5
[M]+ 282.11111 171.5
[M]- 282.11221 171.5
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