CID 63287

75174-38-8

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC(C)NCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H15N3O/c1-9(2)13-7-15-8-14-11-6-4-3-5-10(11)12(15)16/h3-6,8-9,13H,7H2,1-2H3
InChIKey
DKPYKEPIJFRHOA-UHFFFAOYSA-N
Compound name
3-[(propan-2-ylamino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.8
[M+Na]+ 240.11072 156.4
[M-H]- 216.11422 149.9
[M+NH4]+ 235.15532 164.7
[M+K]+ 256.08466 152.9
[M+H-H2O]+ 200.11876 139.8
[M+HCOO]- 262.11970 169.1
[M+CH3COO]- 276.13535 192.4
[M+Na-2H]- 238.09617 155.6
[M]+ 217.12095 148.8
[M]- 217.12205 148.8
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

No patent data available for this compound.