CID 212717

5h-dibenzo(a,d)cyclohepten-10-carbonitrile, 5-(2-dimethylaminoethoxy)-, hydrogen maleate

Structural Information

Molecular Formula
C20H20N2O
SMILES
CN(C)CCOC1C2=CC=CC=C2C=C(C3=CC=CC=C13)C#N
InChI
InChI=1S/C20H20N2O/c1-22(2)11-12-23-20-18-9-4-3-7-15(18)13-16(14-21)17-8-5-6-10-19(17)20/h3-10,13,20H,11-12H2,1-2H3
InChIKey
ZFSBFCLTDPHRLM-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 175.4
[M+Na]+ 327.146778 184.5
[M-H]- 303.150284 181.7
[M+NH4]+ 322.191383 190.4
[M+K]+ 343.120718 181.5
[M+H-H2O]+ 287.154820 163.6
[M+HCOO]- 349.155761 193.5
[M+CH3COO]- 363.171411 185.1
[M+Na-2H]- 325.132226 180.0
[M]+ 304.15701142 171.4
[M]- 304.15810858 171.4
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.