CID 3080061

Brn 4274560

Structural Information

Molecular Formula
C27H26N4
SMILES
CN1CCN(CC1)C2=NC3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5N4CC6=CC=CC=C6
InChI
InChI=1S/C27H26N4/c1-29-15-17-30(18-16-29)26-14-12-23-24(28-26)13-11-22-21-9-5-6-10-25(21)31(27(22)23)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKey
TWKKWXMYWPRPGO-UHFFFAOYSA-N
Compound name
11-benzyl-3-(4-methylpiperazin-1-yl)pyrido[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21576 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22304 203.4
[M+Na]+ 429.20498 212.3
[M-H]- 405.20848 210.0
[M+NH4]+ 424.24958 212.4
[M+K]+ 445.17892 201.9
[M+H-H2O]+ 389.21302 189.1
[M+HCOO]- 451.21396 216.7
[M+CH3COO]- 465.22961 211.0
[M+Na-2H]- 427.19043 206.4
[M]+ 406.21521 202.6
[M]- 406.21631 202.6
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.