CID 378603

Homofascaplysin c

Structural Information

Molecular Formula
C19H12N2O
SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=CC=CC=C5N4C=C3)C=O
InChI
InChI=1S/C19H12N2O/c22-11-15-13-6-2-4-8-17(13)21-10-9-14-12-5-1-3-7-16(12)20-18(14)19(15)21/h1-11,20H
InChIKey
NSKFTNZGUJVDEK-UHFFFAOYSA-N
Compound name
3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene-20-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

284.09497 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10225 163.6
[M+Na]+ 307.08419 178.1
[M-H]- 283.08769 169.4
[M+NH4]+ 302.12879 184.2
[M+K]+ 323.05813 169.7
[M+H-H2O]+ 267.09223 156.3
[M+HCOO]- 329.09317 185.8
[M+CH3COO]- 343.10882 177.1
[M+Na-2H]- 305.06964 171.3
[M]+ 284.09442 169.3
[M]- 284.09552 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe