CID 15956282

Schembl8702089

Structural Information

Molecular Formula
C18H17N7O2
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=NN(C=C4)C(=O)N)C
InChI
InChI=1S/C18H17N7O2/c1-3-24-15-11(5-4-9-20-15)17(26)23(2)14-7-6-12(21-16(14)24)13-8-10-25(22-13)18(19)27/h4-10H,3H2,1-2H3,(H2,19,27)
InChIKey
DQJPCZDJPVBVDG-UHFFFAOYSA-N
Compound name
3-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl)pyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

363.14438 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15166 191.5
[M+Na]+ 386.13360 202.5
[M-H]- 362.13710 195.1
[M+NH4]+ 381.17820 199.4
[M+K]+ 402.10754 199.8
[M+H-H2O]+ 346.14164 178.6
[M+HCOO]- 408.14258 205.2
[M+CH3COO]- 422.15823 200.0
[M+Na-2H]- 384.11905 193.1
[M]+ 363.14383 190.6
[M]- 363.14493 190.6
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