CID 311415

Nsc216647

Structural Information

Molecular Formula
C17H18N4O4
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C17H18N4O4/c1-11-4-5-14(10-16(11)21(24)25)19-17(23)18-13-6-8-15(9-7-13)20(3)12(2)22/h4-10H,1-3H3,(H2,18,19,23)
InChIKey
PVHRGSYRZCXMCY-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[(4-methyl-3-nitrophenyl)carbamoylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

342.1328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 177.4
[M+Na]+ 365.12202 180.9
[M-H]- 341.12552 185.4
[M+NH4]+ 360.16662 189.1
[M+K]+ 381.09596 175.5
[M+H-H2O]+ 325.13006 172.6
[M+HCOO]- 387.13100 203.8
[M+CH3COO]- 401.14665 215.9
[M+Na-2H]- 363.10747 181.3
[M]+ 342.13225 176.2
[M]- 342.13335 176.2
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

patents stripe