CID 117598

25665-01-4

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)C=C(C#N)C#N
InChI
InChI=1S/C15H17N3O2/c1-12-8-15(18(4-6-19)5-7-20)3-2-14(12)9-13(10-16)11-17/h2-3,8-9,19-20H,4-7H2,1H3
InChIKey
XCHBWNUDMKFJDW-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

271.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 173.4
[M+Na]+ 294.121298 181.1
[M-H]- 270.124804 175.5
[M+NH4]+ 289.165903 183.4
[M+K]+ 310.095238 177.7
[M+H-H2O]+ 254.129340 157.8
[M+HCOO]- 316.130281 184.1
[M+CH3COO]- 330.145931 226.7
[M+Na-2H]- 292.106746 172.2
[M]+ 271.13153142 165.5
[M]- 271.13262858 165.5
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