CID 379762

Nsc664734

Structural Information

Molecular Formula
C18H20N2
SMILES
CC1=C(C2=C(C3=C(C=C2)C(=C(C(=N3)C)C)C)N=C1C)C
InChI
InChI=1S/C18H20N2/c1-9-11(3)15-7-8-16-12(4)10(2)14(6)20-18(16)17(15)19-13(9)5/h7-8H,1-6H3
InChIKey
ZXWUQDVMTJFGMB-UHFFFAOYSA-N
Compound name
2,3,4,7,8,9-hexamethyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

264.16266 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 164.5
[M+Na]+ 287.15188 178.3
[M-H]- 263.15538 168.9
[M+NH4]+ 282.19648 182.3
[M+K]+ 303.12582 172.1
[M+H-H2O]+ 247.15992 156.3
[M+HCOO]- 309.16086 184.1
[M+CH3COO]- 323.17651 177.6
[M+Na-2H]- 285.13733 169.8
[M]+ 264.16211 170.0
[M]- 264.16321 170.0
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.