CID 378816

Nsc662134

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC(C1=CC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2OC)OC)O
InChI
InChI=1S/C19H17NO4/c1-10(21)14-8-12-15(23-2)9-16(24-3)17-18(12)20(14)13-7-5-4-6-11(13)19(17)22/h4-10,21H,1-3H3
InChIKey
YJMWFLFLPVIQDO-UHFFFAOYSA-N
Compound name
15-(1-hydroxyethyl)-10,12-dimethoxy-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 174.3
[M+Na]+ 346.104968 186.2
[M-H]- 322.108474 179.0
[M+NH4]+ 341.149573 192.4
[M+K]+ 362.078908 181.7
[M+H-H2O]+ 306.113010 167.1
[M+HCOO]- 368.113951 193.7
[M+CH3COO]- 382.129601 186.6
[M+Na-2H]- 344.090416 179.0
[M]+ 323.11520142 183.2
[M]- 323.11629858 183.2
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.