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

11
Patents

253.10626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.113536 153.1
[M+Na]+ 276.095478 157.9
[M-H]- 252.098984 156.8
[M+NH4]+ 271.140083 168.7
[M+K]+ 292.069418 153.2
[M+H-H2O]+ 236.103520 151.1
[M+HCOO]- 298.104461 178.3
[M+CH3COO]- 312.120111 191.5
[M+Na-2H]- 274.080926 161.5
[M]+ 253.10571142 152.0
[M]- 253.10680858 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