CID 214924

4,4'-dinitro-n,n'-dimethylcarbanilide

Structural Information

Molecular Formula
C15H14N4O5
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O5/c1-16(11-3-7-13(8-4-11)18(21)22)15(20)17(2)12-5-9-14(10-6-12)19(23)24/h3-10H,1-2H3
InChIKey
FDJGIYFXRLDEJB-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3-bis(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.0964 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 184.3
[M+Na]+ 353.08562 190.4
[M+NH4]+ 348.13022 192.8
[M+K]+ 369.05956 198.3
[M-H]- 329.08912 181.3
[M+Na-2H]- 351.07107 181.5
[M]+ 330.09585 186.2
[M]- 330.09695 186.2
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