CID 135474353

2-amino-6-[1-(4-nitrophenyl)ethylamino]-3h-quinazolin-4-one

Structural Information

Molecular Formula
C16H15N5O3
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)N=C(NC3=O)N
InChI
InChI=1S/C16H15N5O3/c1-9(10-2-5-12(6-3-10)21(23)24)18-11-4-7-14-13(8-11)15(22)20-16(17)19-14/h2-9,18H,1H3,(H3,17,19,20,22)
InChIKey
NQENVBQPKMXNFR-UHFFFAOYSA-N
Compound name
2-amino-6-[1-(4-nitrophenyl)ethylamino]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12478 169.4
[M+Na]+ 348.10672 175.5
[M-H]- 324.11022 173.2
[M+NH4]+ 343.15132 179.1
[M+K]+ 364.08066 166.0
[M+H-H2O]+ 308.11476 164.2
[M+HCOO]- 370.11570 190.3
[M+CH3COO]- 384.13135 206.2
[M+Na-2H]- 346.09217 177.6
[M]+ 325.11695 165.1
[M]- 325.11805 165.1
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.