CID 3039373

Dl-12-acetonyl-10,11-dihydro-5,10-imino-(5h)-dibenzo(a,d)cycloheptene

Structural Information

Molecular Formula
C18H17NO
SMILES
CC(=O)CN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H17NO/c1-12(20)11-19-17-10-13-6-2-3-7-14(13)18(19)16-9-5-4-8-15(16)17/h2-9,17-18H,10-11H2,1H3
InChIKey
CXJLDVAMCJBMLW-UHFFFAOYSA-N
Compound name
1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.131 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 161.0
[M+Na]+ 286.12022 169.2
[M-H]- 262.12372 164.2
[M+NH4]+ 281.16482 181.7
[M+K]+ 302.09416 163.5
[M+H-H2O]+ 246.12826 153.6
[M+HCOO]- 308.12920 177.4
[M+CH3COO]- 322.14485 172.4
[M+Na-2H]- 284.10567 166.0
[M]+ 263.13045 161.5
[M]- 263.13155 161.5
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.