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

10
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

literature stripe

Patent stripe

patents stripe