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]+ 282.127726 164.2
[M+Na]+ 304.109668 176.9
[M-H]- 280.113174 170.2
[M+NH4]+ 299.154273 184.4
[M+K]+ 320.083608 167.8
[M+H-H2O]+ 264.117710 156.2
[M+HCOO]- 326.118651 184.3
[M+CH3COO]- 340.134301 176.9
[M+Na-2H]- 302.095116 173.1
[M]+ 281.11990142 166.8
[M]- 281.12099858 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.