CID 478528

Mls000621365

Structural Information

Molecular Formula
C21H18N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H18N4O3/c26-19(15-7-3-1-4-8-15)22-18-13-11-16(12-14-18)20(27)24-25-21(28)23-17-9-5-2-6-10-17/h1-14H,(H,22,26)(H,24,27)(H2,23,25,28)
InChIKey
KZMJYRNXKMCTMX-UHFFFAOYSA-N
Compound name
N-[4-[(phenylcarbamoylamino)carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

374.13788 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 186.0
[M+Na]+ 397.12710 188.0
[M-H]- 373.13060 195.0
[M+NH4]+ 392.17170 195.3
[M+K]+ 413.10104 184.3
[M+H-H2O]+ 357.13514 175.3
[M+HCOO]- 419.13608 211.4
[M+CH3COO]- 433.15173 224.1
[M+Na-2H]- 395.11255 190.9
[M]+ 374.13733 182.4
[M]- 374.13843 182.4
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

No patent data available for this compound.