CID 49119

Dimethylcarbamic acid 2-guanidinophenyl ester nitrate

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CN(C)C(=O)OC1=CC=CC=C1N=C(N)N
InChI
InChI=1S/C10H14N4O2/c1-14(2)10(15)16-8-6-4-3-5-7(8)13-9(11)12/h3-6H,1-2H3,(H4,11,12,13)
InChIKey
QMHWBKAMCHEPSB-UHFFFAOYSA-N
Compound name
[2-(diaminomethylideneamino)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 150.0
[M+Na]+ 245.10090 155.1
[M-H]- 221.10440 155.6
[M+NH4]+ 240.14550 167.7
[M+K]+ 261.07484 155.6
[M+H-H2O]+ 205.10894 142.0
[M+HCOO]- 267.10988 177.8
[M+CH3COO]- 281.12553 202.6
[M+Na-2H]- 243.08635 153.1
[M]+ 222.11113 148.6
[M]- 222.11223 148.6
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

No patent data available for this compound.