CID 71442

Pirolazamide

Structural Information

Molecular Formula
C23H29N3O
SMILES
C1CC2CN(CCN2C1)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C23H29N3O/c24-22(27)23(19-8-3-1-4-9-19,20-10-5-2-6-11-20)13-15-25-16-17-26-14-7-12-21(26)18-25/h1-6,8-11,21H,7,12-18H2,(H2,24,27)
InChIKey
SEINJQWGYXAADT-UHFFFAOYSA-N
Compound name
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

247
Patents

363.23105 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.238326 189.2
[M+Na]+ 386.220268 190.4
[M-H]- 362.223774 194.4
[M+NH4]+ 381.264873 199.7
[M+K]+ 402.194208 184.4
[M+H-H2O]+ 346.228310 178.4
[M+HCOO]- 408.229251 202.0
[M+CH3COO]- 422.244901 196.0
[M+Na-2H]- 384.205716 189.7
[M]+ 363.23050142 181.8
[M]- 363.23159858 181.8
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