CID 9588312

75723-04-5

Structural Information

Molecular Formula
C14H13N5O
SMILES
CN\1CCC/C1=N\N2C(=NC3=CC=CC=C3C2=O)C#N
InChI
InChI=1S/C14H13N5O/c1-18-8-4-7-12(18)17-19-13(9-15)16-11-6-3-2-5-10(11)14(19)20/h2-3,5-6H,4,7-8H2,1H3/b17-12+
InChIKey
OZXPLVWAYMEADD-SFQUDFHCSA-N
Compound name
3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]-4-oxoquinazoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.112 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11928 160.2
[M+Na]+ 290.10122 171.3
[M-H]- 266.10472 163.2
[M+NH4]+ 285.14582 173.7
[M+K]+ 306.07516 164.7
[M+H-H2O]+ 250.10926 143.5
[M+HCOO]- 312.11020 177.2
[M+CH3COO]- 326.12585 170.1
[M+Na-2H]- 288.08667 163.7
[M]+ 267.11145 154.4
[M]- 267.11255 154.4
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.