CID 60677

Serazapine

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC
InChI
InChI=1S/C22H23N3O2/c1-23-11-12-24-17-9-5-3-7-15(17)13-25-18-10-6-4-8-16(18)20(22(26)27-2)21(25)19(24)14-23/h3-10,19H,11-14H2,1-2H3
InChIKey
WPGUWABWNUSPMW-UHFFFAOYSA-N
Compound name
methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

204
Patents

361.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 187.9
[M+Na]+ 384.168238 196.8
[M-H]- 360.171744 192.8
[M+NH4]+ 379.212843 201.9
[M+K]+ 400.142178 193.2
[M+H-H2O]+ 344.176280 178.9
[M+HCOO]- 406.177221 200.3
[M+CH3COO]- 420.192871 196.9
[M+Na-2H]- 382.153686 190.6
[M]+ 361.17847142 186.9
[M]- 361.17956858 186.9
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