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]+ 201.13863 145.0
[M+Na]+ 223.12057 155.3
[M-H]- 199.12407 147.5
[M+NH4]+ 218.16517 166.4
[M+K]+ 239.09451 150.9
[M+H-H2O]+ 183.12861 137.7
[M+HCOO]- 245.12955 164.7
[M+CH3COO]- 259.14520 158.3
[M+Na-2H]- 221.10602 151.6
[M]+ 200.13080 147.2
[M]- 200.13190 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