CID 495456

Nsc655442

Structural Information

Molecular Formula
C15H14N2
SMILES
C1C=CC2C1CNC3=C2C=CC4=C3C=CN=C4
InChI
InChI=1S/C15H14N2/c1-2-10-9-17-15-13-6-7-16-8-11(13)4-5-14(15)12(10)3-1/h1,3-8,10,12,17H,2,9H2
InChIKey
UGOQHQVZCSABRN-UHFFFAOYSA-N
Compound name
3a,10,11,11a-tetrahydro-1H-cyclopenta[c][1,8]phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 148.4
[M+Na]+ 245.10491 156.8
[M-H]- 221.10841 150.3
[M+NH4]+ 240.14951 168.1
[M+K]+ 261.07885 150.2
[M+H-H2O]+ 205.11295 140.3
[M+HCOO]- 267.11389 164.2
[M+CH3COO]- 281.12954 159.8
[M+Na-2H]- 243.09036 155.5
[M]+ 222.11514 144.4
[M]- 222.11624 144.4
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.