CID 3059664

Brn 6006879

Structural Information

Molecular Formula
C18H16ClN5O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CNCC(=O)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN5O3/c19-12-5-7-13(8-6-12)22-18(27)23-16(25)9-20-10-24-11-21-15-4-2-1-3-14(15)17(24)26/h1-8,11,20H,9-10H2,(H2,22,23,25,27)
InChIKey
HNLHDIPLJULBNU-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)carbamoyl]-2-[(4-oxoquinazolin-3-yl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.09418 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10146 185.7
[M+Na]+ 408.08340 192.7
[M-H]- 384.08690 190.6
[M+NH4]+ 403.12800 195.2
[M+K]+ 424.05734 186.8
[M+H-H2O]+ 368.09144 175.8
[M+HCOO]- 430.09238 203.5
[M+CH3COO]- 444.10803 223.5
[M+Na-2H]- 406.06885 192.1
[M]+ 385.09363 188.1
[M]- 385.09473 188.1
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.