CID 63164

4(3h)-quinazolinone, 3-(aminomethyl)-, dihydrochloride

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CN
InChI
InChI=1S/C9H9N3O/c10-5-12-6-11-8-4-2-1-3-7(8)9(12)13/h1-4,6H,5,10H2
InChIKey
TUYJMWQCRJULQY-UHFFFAOYSA-N
Compound name
3-(aminomethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 134.2
[M+Na]+ 198.06377 144.5
[M-H]- 174.06727 136.2
[M+NH4]+ 193.10837 152.7
[M+K]+ 214.03771 140.9
[M+H-H2O]+ 158.07181 126.8
[M+HCOO]- 220.07275 156.9
[M+CH3COO]- 234.08840 147.7
[M+Na-2H]- 196.04922 143.8
[M]+ 175.07400 133.8
[M]- 175.07510 133.8
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