CID 456719

Di-4acnphco hyd

Structural Information

Molecular Formula
C18H18N4O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C18H18N4O4/c1-11(23)19-15-7-3-13(4-8-15)17(25)21-22-18(26)14-5-9-16(10-6-14)20-12(2)24/h3-10H,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKey
UEJQHIXDOZHSIH-UHFFFAOYSA-N
Compound name
N-[4-[[(4-acetamidobenzoyl)amino]carbamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.1328 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 182.8
[M+Na]+ 377.12202 185.8
[M-H]- 353.12552 189.3
[M+NH4]+ 372.16662 193.7
[M+K]+ 393.09596 183.9
[M+H-H2O]+ 337.13006 173.4
[M+HCOO]- 399.13100 207.4
[M+CH3COO]- 413.14665 222.9
[M+Na-2H]- 375.10747 184.4
[M]+ 354.13225 181.1
[M]- 354.13335 181.1
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

patents stripe