CID 11325896

Unii-7bjb3e00a3

Structural Information

Molecular Formula
C18H24FN5O2
SMILES
CC1=C2C(=CC(=C1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N
InChI
InChI=1S/C18H24FN5O2/c1-9-15-13(17(25)24(21)18(26)23(15)12-3-4-12)7-14(19)16(9)22-6-5-11(8-22)10(2)20/h7,10-12H,3-6,8,20-21H2,1-2H3/t10-,11+/m0/s1
InChIKey
SMONLCFJGCJROJ-WDEREUQCSA-N
Compound name
3-amino-7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

361.1914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19868 185.4
[M+Na]+ 384.18062 197.0
[M+NH4]+ 379.22522 191.0
[M+K]+ 400.15456 195.4
[M-H]- 360.18412 194.4
[M+Na-2H]- 382.16607 190.4
[M]+ 361.19085 190.3
[M]- 361.19195 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe