CID 37825

Ciclazindol

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1CN=C2C(C3=CC=CC=C3N2C1)(C4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C17H15ClN2O/c18-13-6-3-5-12(11-13)17(21)14-7-1-2-8-15(14)20-10-4-9-19-16(17)20/h1-3,5-8,11,21H,4,9-10H2
InChIKey
VKQDZNZTPGLGFD-UHFFFAOYSA-N
Compound name
10-(3-chlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

918
Patents

298.08728 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.094556 168.3
[M+Na]+ 321.076498 178.5
[M-H]- 297.080004 172.8
[M+NH4]+ 316.121103 186.7
[M+K]+ 337.050438 170.8
[M+H-H2O]+ 281.084540 159.6
[M+HCOO]- 343.085481 180.5
[M+CH3COO]- 357.101131 179.3
[M+Na-2H]- 319.061946 173.4
[M]+ 298.08673142 168.0
[M]- 298.08782858 168.0
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