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
2
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]+ 272.13936 173.4
[M+Na]+ 294.12130 181.1
[M-H]- 270.12480 175.5
[M+NH4]+ 289.16590 183.4
[M+K]+ 310.09524 177.7
[M+H-H2O]+ 254.12934 157.8
[M+HCOO]- 316.13028 184.1
[M+CH3COO]- 330.14593 226.7
[M+Na-2H]- 292.10675 172.2
[M]+ 271.13153 165.5
[M]- 271.13263 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