CID 12962435

76907-21-6

Structural Information

Molecular Formula
C15H19N3O
SMILES
CCNC(=O)CC1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C15H19N3O/c1-2-16-14(19)9-13-15-11(7-8-17-13)10-5-3-4-6-12(10)18-15/h3-6,13,17-18H,2,7-9H2,1H3,(H,16,19)
InChIKey
RQMYYBHPURCACN-UHFFFAOYSA-N
Compound name
N-ethyl-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.160076 158.9
[M+Na]+ 280.142018 165.6
[M-H]- 256.145524 158.7
[M+NH4]+ 275.186623 175.4
[M+K]+ 296.115958 159.4
[M+H-H2O]+ 240.150060 151.4
[M+HCOO]- 302.151001 175.3
[M+CH3COO]- 316.166651 168.9
[M+Na-2H]- 278.127466 163.6
[M]+ 257.15225142 155.4
[M]- 257.15334858 155.4
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.