CID 174265

Einecs 279-914-9

Structural Information

Molecular Formula
C18H17N5O4
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3OC
InChI
InChI=1S/C18H17N5O4/c1-10(24)16(23-22-13-5-3-4-6-15(13)27-2)17(25)19-11-7-8-12-14(9-11)21-18(26)20-12/h3-9,16H,1-2H3,(H,19,25)(H2,20,21,26)
InChIKey
BWCSCOGVOJAQRL-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

367.12805 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13533 181.6
[M+Na]+ 390.11727 188.1
[M-H]- 366.12077 187.6
[M+NH4]+ 385.16187 192.6
[M+K]+ 406.09121 184.6
[M+H-H2O]+ 350.12531 171.8
[M+HCOO]- 412.12625 205.5
[M+CH3COO]- 426.14190 222.5
[M+Na-2H]- 388.10272 185.8
[M]+ 367.12750 184.0
[M]- 367.12860 184.0
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