CID 15956292

Schembl8701079

Structural Information

Molecular Formula
C19H19N5O
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=CN(C=C4)C)C
InChI
InChI=1S/C19H19N5O/c1-4-24-17-14(6-5-10-20-17)19(25)23(3)16-8-7-15(21-18(16)24)13-9-11-22(2)12-13/h5-12H,4H2,1-3H3
InChIKey
WUONYJDITJDZMG-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-5-(1-methylpyrrol-3-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.15897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 184.5
[M+Na]+ 356.14819 195.9
[M-H]- 332.15169 189.0
[M+NH4]+ 351.19279 195.5
[M+K]+ 372.12213 192.3
[M+H-H2O]+ 316.15623 172.7
[M+HCOO]- 378.15717 199.3
[M+CH3COO]- 392.17282 194.2
[M+Na-2H]- 354.13364 186.5
[M]+ 333.15842 184.7
[M]- 333.15952 184.7
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