CID 372199

Nsc647150

Structural Information

Molecular Formula
C19H22N2O4
SMILES
COC(=O)C(CC=C)C1(C2=C(CCN1)C3=CC=CC=C3N2)C(=O)OC
InChI
InChI=1S/C19H22N2O4/c1-4-7-14(17(22)24-2)19(18(23)25-3)16-13(10-11-20-19)12-8-5-6-9-15(12)21-16/h4-6,8-9,14,20-21H,1,7,10-11H2,2-3H3
InChIKey
SAARIOKAWZSEIU-UHFFFAOYSA-N
Compound name
methyl 1-(1-methoxy-1-oxopent-4-en-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 182.1
[M+Na]+ 365.14718 188.2
[M-H]- 341.15068 181.7
[M+NH4]+ 360.19178 196.9
[M+K]+ 381.12112 183.4
[M+H-H2O]+ 325.15522 174.8
[M+HCOO]- 387.15616 194.8
[M+CH3COO]- 401.17181 206.3
[M+Na-2H]- 363.13263 183.1
[M]+ 342.15741 182.4
[M]- 342.15851 182.4
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.