CID 3041113

Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
CCN1CC2=C3C(=CN(C3=CC=C2)C)C1
InChI
InChI=1S/C13H16N2/c1-3-15-8-10-5-4-6-12-13(10)11(9-15)7-14(12)2/h4-7H,3,8-9H2,1-2H3
InChIKey
KTUJBBWTPVTVRM-UHFFFAOYSA-N
Compound name
6-ethyl-2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 145.0
[M+Na]+ 223.120568 155.3
[M-H]- 199.124074 147.5
[M+NH4]+ 218.165173 166.4
[M+K]+ 239.094508 150.9
[M+H-H2O]+ 183.128610 137.7
[M+HCOO]- 245.129551 164.7
[M+CH3COO]- 259.145201 158.3
[M+Na-2H]- 221.106016 151.6
[M]+ 200.13080142 147.2
[M]- 200.13189858 147.2
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

patents stripe