CID 19085949

N'-(3-nitrophenyl)(tert-butoxy)carbohydrazide

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC(C)(C)OC(=O)NNC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(15)13-12-8-5-4-6-9(7-8)14(16)17/h4-7,12H,1-3H3,(H,13,15)
InChIKey
GZNVLFZCNZCRQW-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-nitroanilino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.10626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 153.1
[M+Na]+ 276.09548 157.9
[M-H]- 252.09898 156.8
[M+NH4]+ 271.14008 168.7
[M+K]+ 292.06942 153.2
[M+H-H2O]+ 236.10352 151.1
[M+HCOO]- 298.10446 178.3
[M+CH3COO]- 312.12011 191.5
[M+Na-2H]- 274.08093 161.5
[M]+ 253.10571 152.0
[M]- 253.10681 152.0
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