CID 3066780

Brn 5627613

Structural Information

Molecular Formula
C17H16ClN5O2
SMILES
C1CN(CCN1C2=NC3=C(C=CC(=C3)Cl)C(=N2)N)C(=O)C4=CC=CO4
InChI
InChI=1S/C17H16ClN5O2/c18-11-3-4-12-13(10-11)20-17(21-15(12)19)23-7-5-22(6-8-23)16(24)14-2-1-9-25-14/h1-4,9-10H,5-8H2,(H2,19,20,21)
InChIKey
SLTJFYKNMBNWQM-UHFFFAOYSA-N
Compound name
[4-(4-amino-7-chloroquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.09924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10652 183.0
[M+Na]+ 380.08846 192.2
[M-H]- 356.09196 188.7
[M+NH4]+ 375.13306 191.6
[M+K]+ 396.06240 186.2
[M+H-H2O]+ 340.09650 171.6
[M+HCOO]- 402.09744 194.0
[M+CH3COO]- 416.11309 192.2
[M+Na-2H]- 378.07391 185.0
[M]+ 357.09869 183.3
[M]- 357.09979 183.3
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.