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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 183.0
[M+Na]+ 346.21412 192.9
[M-H]- 322.21762 187.4
[M+NH4]+ 341.25872 201.0
[M+K]+ 362.18806 186.6
[M+H-H2O]+ 306.22216 175.1
[M+HCOO]- 368.22310 203.7
[M+CH3COO]- 382.23875 215.3
[M+Na-2H]- 344.19957 184.7
[M]+ 323.22435 190.8
[M]- 323.22545 190.8
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.