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]+ 324.12303 174.3
[M+Na]+ 346.10497 186.2
[M-H]- 322.10847 179.0
[M+NH4]+ 341.14957 192.4
[M+K]+ 362.07891 181.7
[M+H-H2O]+ 306.11301 167.1
[M+HCOO]- 368.11395 193.7
[M+CH3COO]- 382.12960 186.6
[M+Na-2H]- 344.09042 179.0
[M]+ 323.11520 183.2
[M]- 323.11630 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.