CID 6481130

Xestomanzamine a

Structural Information

Molecular Formula
C15H12N4
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(N4)N
InChI
InChI=1S/C15H12N4/c16-13-6-5-12(18-13)15-14-10(7-8-17-15)9-3-1-2-4-11(9)19-14/h1-8,18-19H,16H2
InChIKey
ASZNIWUJAUEHML-UHFFFAOYSA-N
Compound name
5-(9H-pyrido[3,4-b]indol-1-yl)-1H-pyrrol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11348 152.4
[M+Na]+ 271.09542 164.4
[M-H]- 247.09892 156.1
[M+NH4]+ 266.14002 169.8
[M+K]+ 287.06936 156.5
[M+H-H2O]+ 231.10346 144.6
[M+HCOO]- 293.10440 174.1
[M+CH3COO]- 307.12005 164.9
[M+Na-2H]- 269.08087 158.8
[M]+ 248.10565 151.9
[M]- 248.10675 151.9
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.