CID 135417398

Brn 0685341

Structural Information

Molecular Formula
C18H14ClN3
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)NC1=NC4=CC=CC=C4Cl
InChI
InChI=1S/C18H14ClN3/c1-22-16-11-5-7-12-6-4-10-15(17(12)16)21-18(22)20-14-9-3-2-8-13(14)19/h2-11H,1H3,(H,20,21)
InChIKey
PQYHRZFHAVEUAJ-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-methyl-1H-perimidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08762 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09490 171.3
[M+Na]+ 330.07684 180.8
[M-H]- 306.08034 175.8
[M+NH4]+ 325.12144 186.2
[M+K]+ 346.05078 172.4
[M+H-H2O]+ 290.08488 161.5
[M+HCOO]- 352.08582 184.7
[M+CH3COO]- 366.10147 181.7
[M+Na-2H]- 328.06229 178.7
[M]+ 307.08707 171.4
[M]- 307.08817 171.4
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

No patent data available for this compound.