CID 57610

100037-07-8

Structural Information

Molecular Formula
C19H17ClN4O3
SMILES
C1CN=C(N1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O
InChI
InChI=1S/C19H17ClN4O3/c20-13-3-6-15-17(11-13)27-19(26)24(15)10-7-16(25)12-1-4-14(5-2-12)23-18-21-8-9-22-18/h1-6,11H,7-10H2,(H2,21,22,23)
InChIKey
BULZFNPORQENDN-UHFFFAOYSA-N
Compound name
6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0989 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10618 187.1
[M+Na]+ 407.08812 201.4
[M+NH4]+ 402.13272 193.1
[M+K]+ 423.06206 198.3
[M-H]- 383.09162 192.0
[M+Na-2H]- 405.07357 193.6
[M]+ 384.09835 190.6
[M]- 384.09945 190.6
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.