CID 3071880

3-o-methylcarazostatin

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCCCCC1=C2C(=CC(=C1C)OC)C3=CC=CC=C3N2
InChI
InChI=1S/C21H27NO/c1-4-5-6-7-8-11-16-15(2)20(23-3)14-18-17-12-9-10-13-19(17)22-21(16)18/h9-10,12-14,22H,4-8,11H2,1-3H3
InChIKey
ABYVCTWTYWFOAJ-UHFFFAOYSA-N
Compound name
1-heptyl-3-methoxy-2-methyl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.20926 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.3
[M+Na]+ 332.19848 187.3
[M-H]- 308.20198 181.1
[M+NH4]+ 327.24308 195.9
[M+K]+ 348.17242 180.4
[M+H-H2O]+ 292.20652 170.7
[M+HCOO]- 354.20746 197.9
[M+CH3COO]- 368.22311 208.7
[M+Na-2H]- 330.18393 180.9
[M]+ 309.20871 183.6
[M]- 309.20981 183.6
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

patents stripe