CID 3048871

14h-acenaphtho(4,5-a)benzo(i)carbazole, 6,7-dihydro-

Structural Information

Molecular Formula
C26H17N
SMILES
C1CC2=CC3=C(C=CC4=C3NC5=C4C=CC6=CC=CC=C65)C7=CC=CC1=C27
InChI
InChI=1S/C26H17N/c1-2-6-18-15(4-1)10-11-21-22-13-12-19-20-7-3-5-16-8-9-17(24(16)20)14-23(19)26(22)27-25(18)21/h1-7,10-14,27H,8-9H2
InChIKey
XFQODAFBJIPGRF-UHFFFAOYSA-N
Compound name
16-azaheptacyclo[18.6.1.02,18.05,17.06,15.09,14.023,27]heptacosa-1(26),2(18),3,5(17),6(15),7,9,11,13,19,23(27),24-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1361 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14338 181.4
[M+Na]+ 366.12532 202.1
[M+NH4]+ 361.16992 194.5
[M+K]+ 382.09926 192.7
[M-H]- 342.12882 188.5
[M+Na-2H]- 364.11077 188.4
[M]+ 343.13555 187.1
[M]- 343.13665 187.1
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.