CID 3043602

Brn 2381389

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CC1=C(C(=CC=C1)OC)NC(=O)N=C(N)N
InChI
InChI=1S/C10H14N4O2/c1-6-4-3-5-7(16-2)8(6)13-10(15)14-9(11)12/h3-5H,1-2H3,(H5,11,12,13,14,15)
InChIKey
GXWCQIVOFKTXEH-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2-methoxy-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.11168 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.118956 149.6
[M+Na]+ 245.100898 155.5
[M-H]- 221.104404 154.1
[M+NH4]+ 240.145503 167.0
[M+K]+ 261.074838 154.6
[M+H-H2O]+ 205.108940 142.0
[M+HCOO]- 267.109881 176.9
[M+CH3COO]- 281.125531 200.5
[M+Na-2H]- 243.086346 152.7
[M]+ 222.11113142 147.3
[M]- 222.11222858 147.3
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