CID 211824

23597-98-0

Structural Information

Molecular Formula
C16H14ClN3
SMILES
C1CN2C(NC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H14ClN3/c17-12-7-5-11(6-8-12)15-19-14-4-2-1-3-13(14)16-18-9-10-20(15)16/h1-8,15,19H,9-10H2
InChIKey
HSZXGIDMRWNJCF-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[1,2-c]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09490 164.7
[M+Na]+ 306.07684 174.2
[M-H]- 282.08034 167.4
[M+NH4]+ 301.12144 180.3
[M+K]+ 322.05078 165.9
[M+H-H2O]+ 266.08488 155.1
[M+HCOO]- 328.08582 175.5
[M+CH3COO]- 342.10147 175.0
[M+Na-2H]- 304.06229 169.2
[M]+ 283.08707 162.8
[M]- 283.08817 162.8
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