CID 431004

Nsc287296

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC(CCC=C(C)C)CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C21H30N2O/c1-14(2)6-5-7-15(3)12-20-21-17(10-11-22-20)18-13-16(24-4)8-9-19(18)23-21/h6,8-9,13,15,20,22-23H,5,7,10-12H2,1-4H3
InChIKey
MKQRUPCSMDQKBM-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylhept-5-enyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 184.8
[M+Na]+ 349.22502 190.2
[M-H]- 325.22852 183.9
[M+NH4]+ 344.26962 199.0
[M+K]+ 365.19896 183.2
[M+H-H2O]+ 309.23306 176.9
[M+HCOO]- 371.23400 196.9
[M+CH3COO]- 385.24965 208.7
[M+Na-2H]- 347.21047 183.5
[M]+ 326.23525 183.6
[M]- 326.23635 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

No patent data available for this compound.