CID 9137

Naphtho[2,3-a]pyrene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC=C6)C=C4
InChI
InChI=1S/C24H14/c1-2-5-18-14-22-20(12-17(18)4-1)13-19-9-8-15-6-3-7-16-10-11-21(22)24(19)23(15)16/h1-14H
InChIKey
AXSJLZJXXUBRBS-UHFFFAOYSA-N
Compound name
hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

137
Patents

302.10956 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11684 168.3
[M+Na]+ 325.09878 179.2
[M-H]- 301.10228 175.4
[M+NH4]+ 320.14338 188.0
[M+K]+ 341.07272 170.6
[M+H-H2O]+ 285.10682 157.7
[M+HCOO]- 347.10776 186.9
[M+CH3COO]- 361.12341 180.1
[M+Na-2H]- 323.08423 181.1
[M]+ 302.10901 172.0
[M]- 302.11011 172.0
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