CID 224464

6-methyl-3-(p-tolyl)-3,4-dihydroquinazoline

Structural Information

Molecular Formula
C16H16N2
SMILES
CC1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C)N=C2
InChI
InChI=1S/C16H16N2/c1-12-3-6-15(7-4-12)18-10-14-9-13(2)5-8-16(14)17-11-18/h3-9,11H,10H2,1-2H3
InChIKey
KPBHBOKRUJADIW-UHFFFAOYSA-N
Compound name
6-methyl-3-(4-methylphenyl)-4H-quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 155.1
[M+Na]+ 259.12057 164.2
[M-H]- 235.12407 160.0
[M+NH4]+ 254.16517 171.3
[M+K]+ 275.09451 158.7
[M+H-H2O]+ 219.12861 145.8
[M+HCOO]- 281.12955 174.4
[M+CH3COO]- 295.14520 167.1
[M+Na-2H]- 257.10602 162.1
[M]+ 236.13080 154.2
[M]- 236.13190 154.2
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

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