CID 3035261

12h-acenaphtho(4,5-a)carbazole

Structural Information

Molecular Formula
C22H15N
SMILES
C1CC2=CC3=C(C=CC4=C3NC5=CC=CC=C45)C6=CC=CC1=C26
InChI
InChI=1S/C22H15N/c1-2-7-20-16(5-1)18-11-10-15-17-6-3-4-13-8-9-14(21(13)17)12-19(15)22(18)23-20/h1-7,10-12,23H,8-9H2
InChIKey
NXRKIYVMAWJLKT-UHFFFAOYSA-N
Compound name
12-azahexacyclo[14.6.1.02,14.05,13.06,11.019,23]tricosa-1(22),2(14),3,5(13),6,8,10,15,19(23),20-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.12045 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12773 165.0
[M+Na]+ 316.10967 177.1
[M-H]- 292.11317 171.5
[M+NH4]+ 311.15427 187.3
[M+K]+ 332.08361 167.8
[M+H-H2O]+ 276.11771 157.6
[M+HCOO]- 338.11865 184.0
[M+CH3COO]- 352.13430 177.5
[M+Na-2H]- 314.09512 171.9
[M]+ 293.11990 168.0
[M]- 293.12100 168.0
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.