CID 10467350

Normirtazapine

Structural Information

Molecular Formula
C16H17N3
SMILES
C1CN2C(CN1)C3=CC=CC=C3CC4=C2N=CC=C4
InChI
InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2
InChIKey
FGLAMNFOHWVQOH-UHFFFAOYSA-N
Compound name
2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

33
Patents

251.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 157.0
[M+Na]+ 274.131458 163.7
[M-H]- 250.134964 158.4
[M+NH4]+ 269.176063 171.4
[M+K]+ 290.105398 160.2
[M+H-H2O]+ 234.139500 148.0
[M+HCOO]- 296.140441 168.9
[M+CH3COO]- 310.156091 166.2
[M+Na-2H]- 272.116906 165.2
[M]+ 251.14169142 149.2
[M]- 251.14278858 149.2
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