CID 6861487

Nsc685850

Structural Information

Molecular Formula
C18H18N4O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C18H18N4O/c1-13-20-17-7-5-4-6-16(17)18(23)22(13)19-12-14-8-10-15(11-9-14)21(2)3/h4-12H,1-3H3/b19-12+
InChIKey
CHPVRKFQEYCBJU-XDHOZWIPSA-N
Compound name
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

306.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 172.9
[M+Na]+ 329.13729 182.2
[M-H]- 305.14079 180.9
[M+NH4]+ 324.18189 187.0
[M+K]+ 345.11123 177.6
[M+H-H2O]+ 289.14533 162.1
[M+HCOO]- 351.14627 197.4
[M+CH3COO]- 365.16192 217.2
[M+Na-2H]- 327.12274 179.7
[M]+ 306.14752 176.1
[M]- 306.14862 176.1
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

No patent data available for this compound.