CID 373266

Nsc649418

Structural Information

Molecular Formula
C16H19NO
SMILES
C=CCCCC12CCCC3=C1C(=CC=C3)NC2=O
InChI
InChI=1S/C16H19NO/c1-2-3-4-10-16-11-6-8-12-7-5-9-13(14(12)16)17-15(16)18/h2,5,7,9H,1,3-4,6,8,10-11H2,(H,17,18)
InChIKey
AHLXYZLFKAUGCX-UHFFFAOYSA-N
Compound name
2a-pent-4-enyl-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

241.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 158.1
[M+Na]+ 264.13589 165.1
[M-H]- 240.13939 159.3
[M+NH4]+ 259.18049 179.7
[M+K]+ 280.10983 159.0
[M+H-H2O]+ 224.14393 151.5
[M+HCOO]- 286.14487 174.2
[M+CH3COO]- 300.16052 169.0
[M+Na-2H]- 262.12134 162.5
[M]+ 241.14612 155.9
[M]- 241.14722 155.9
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.