CID 171994

67920-93-8

Structural Information

Molecular Formula
C19H12N2O
SMILES
CC1=C2C=CC=C3C2=C(C=C1)C4=NC5=CC=CC=C5N4C3=O
InChI
InChI=1S/C19H12N2O/c1-11-9-10-13-17-12(11)5-4-6-14(17)19(22)21-16-8-3-2-7-15(16)20-18(13)21/h2-10H,1H3
InChIKey
RNAVNJJFQSEMKN-UHFFFAOYSA-N
Compound name
17-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

284.09497 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.102246 164.8
[M+Na]+ 307.084188 179.4
[M-H]- 283.087694 170.7
[M+NH4]+ 302.128793 184.5
[M+K]+ 323.058128 171.7
[M+H-H2O]+ 267.092230 155.8
[M+HCOO]- 329.093171 185.9
[M+CH3COO]- 343.108821 178.2
[M+Na-2H]- 305.069636 174.6
[M]+ 284.09442142 171.8
[M]- 284.09551858 171.8
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

patents stripe