CID 12353769

4-(2,2-dicyanovinyl)-n-bis(hydroxyethyl)aniline

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C1=CC(=CC=C1C=C(C#N)C#N)N(CCO)CCO
InChI
InChI=1S/C14H15N3O2/c15-10-13(11-16)9-12-1-3-14(4-2-12)17(5-7-18)6-8-19/h1-4,9,18-19H,5-8H2
InChIKey
CYBYVNMREDBMAT-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-hydroxyethyl)amino]phenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

257.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 171.0
[M+Na]+ 280.10564 178.4
[M-H]- 256.10914 172.9
[M+NH4]+ 275.15024 181.1
[M+K]+ 296.07958 174.9
[M+H-H2O]+ 240.11368 155.3
[M+HCOO]- 302.11462 181.8
[M+CH3COO]- 316.13027 224.0
[M+Na-2H]- 278.09109 170.6
[M]+ 257.11587 162.6
[M]- 257.11697 162.6
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