CID 5318875

Dehydrocrenatidine

Structural Information

Molecular Formula
C15H14N2O2
SMILES
COC1=CC=CC2=C1NC3=C2C(=CN=C3C=C)OC
InChI
InChI=1S/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3
InChIKey
LDWBTKDUAXOZRB-UHFFFAOYSA-N
Compound name
1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

254.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.1
[M+Na]+ 277.09475 169.1
[M-H]- 253.09825 159.7
[M+NH4]+ 272.13935 175.5
[M+K]+ 293.06869 163.4
[M+H-H2O]+ 237.10279 149.8
[M+HCOO]- 299.10373 177.9
[M+CH3COO]- 313.11938 170.0
[M+Na-2H]- 275.08020 163.2
[M]+ 254.10498 161.8
[M]- 254.10608 161.8
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.