CID 68802

Pirlindole

Structural Information

Molecular Formula
C15H18N2
SMILES
CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4
InChI
InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
InChIKey
IWVRVEIKCBFZNF-UHFFFAOYSA-N
Compound name
12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

130
References

3096
Patents

226.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 151.4
[M+Na]+ 249.13622 159.5
[M-H]- 225.13972 152.5
[M+NH4]+ 244.18082 171.5
[M+K]+ 265.11016 153.2
[M+H-H2O]+ 209.14426 143.5
[M+HCOO]- 271.14520 165.6
[M+CH3COO]- 285.16085 162.4
[M+Na-2H]- 247.12167 157.0
[M]+ 226.14645 148.2
[M]- 226.14755 148.2
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