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 177.5
[M+Na]+ 366.12532 190.2
[M-H]- 342.12882 185.2
[M+NH4]+ 361.16992 198.3
[M+K]+ 382.09926 179.7
[M+H-H2O]+ 326.13336 168.8
[M+HCOO]- 388.13430 195.6
[M+CH3COO]- 402.14995 189.1
[M+Na-2H]- 364.11077 184.4
[M]+ 343.13555 181.7
[M]- 343.13665 181.7
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.