CID 3079620

N,o-dimethylcarazostatin

Structural Information

Molecular Formula

C₂₂H₂₉NO

SMILES

CCCCCCCC1=C2C(=CC(=C1C)OC)C3=CC=CC=C3N2C

InChI

InChI=1S/C22H29NO/c1-5-6-7-8-9-12-17-16(2)21(24-4)15-19-18-13-10-11-14-20(18)23(3)22(17)19/h10-11,13-15H,5-9,12H2,1-4H3

InChIKey

NXUSOCABQGWMCS-UHFFFAOYSA-N

Compound name

1-heptyl-3-methoxy-2,9-dimethylcarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.2249 Da
Monoisotopic Mass: 7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.232176	183.0
[M+Na]+	346.214118	192.9
[M-H]-	322.217624	187.4
[M+NH4]+	341.258723	201.0
[M+K]+	362.188058	186.6
[M+H-H2O]+	306.222160	175.1
[M+HCOO]-	368.223101	203.7
[M+CH3COO]-	382.238751	215.3
[M+Na-2H]-	344.199566	184.7
[M]+	323.22435142	190.8
[M]-	323.22544858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.