CID 45434

2'-methyl-1,2-5,6-dibenzocarbazole

Structural Information

Molecular Formula
C21H15N
SMILES
CC1=CC2=C(C=C1)C=CC3=C2C4=C(N3)C5=CC=CC=C5C=C4
InChI
InChI=1S/C21H15N/c1-13-6-7-15-9-11-19-20(18(15)12-13)17-10-8-14-4-2-3-5-16(14)21(17)22-19/h2-12,22H,1H3
InChIKey
IAQYOFNCAUPEBC-UHFFFAOYSA-N
Compound name
5-methyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12045 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12773 164.2
[M+Na]+ 304.10967 176.9
[M-H]- 280.11317 170.2
[M+NH4]+ 299.15427 184.4
[M+K]+ 320.08361 167.8
[M+H-H2O]+ 264.11771 156.2
[M+HCOO]- 326.11865 184.3
[M+CH3COO]- 340.13430 176.9
[M+Na-2H]- 302.09512 173.1
[M]+ 281.11990 166.8
[M]- 281.12100 166.8
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.