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 172.6
[M+Na]+ 353.08562 175.1
[M-H]- 329.08912 181.3
[M+NH4]+ 348.13022 184.0
[M+K]+ 369.05956 167.1
[M+H-H2O]+ 313.09366 172.1
[M+HCOO]- 375.09460 199.7
[M+CH3COO]- 389.11025 207.3
[M+Na-2H]- 351.07107 179.2
[M]+ 330.09585 170.5
[M]- 330.09695 170.5
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