CID 9129

Naphtho[2,3-e]pyrene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C=C3C4=CC=CC5=C4C6=C(C=CC=C6C3=CC2=C1)C=C5
InChI
InChI=1S/C24H14/c1-2-6-18-14-22-20-10-4-8-16-12-11-15-7-3-9-19(23(15)24(16)20)21(22)13-17(18)5-1/h1-14H
InChIKey
SRCZXQXKBVWAFC-UHFFFAOYSA-N
Compound name
hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1(22),2,4,6,8,10,12,14,16(24),17,19(23),20-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

302.10956 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11684 169.7
[M+Na]+ 325.09878 192.5
[M+NH4]+ 320.14338 183.7
[M+K]+ 341.07272 178.4
[M-H]- 301.10228 178.1
[M+Na-2H]- 323.08423 180.1
[M]+ 302.10901 176.3
[M]- 302.11011 176.3
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