CID 99172

9-aminoellipticine

Structural Information

Molecular Formula
C17H15N3
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)N)C
InChI
InChI=1S/C17H15N3/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,18H2,1-2H3
InChIKey
PCLRPEZTOOYTNQ-UHFFFAOYSA-N
Compound name
5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

25
Patents

261.1266 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 160.1
[M+Na]+ 284.11582 173.6
[M-H]- 260.11932 164.0
[M+NH4]+ 279.16042 179.0
[M+K]+ 300.08976 165.6
[M+H-H2O]+ 244.12386 152.6
[M+HCOO]- 306.12480 181.2
[M+CH3COO]- 320.14045 172.9
[M+Na-2H]- 282.10127 167.7
[M]+ 261.12605 162.4
[M]- 261.12715 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe