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

15
Patents

222.11168 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 150.4
[M+Na]+ 245.10090 158.1
[M+NH4]+ 240.14550 156.4
[M+K]+ 261.07484 154.5
[M-H]- 221.10440 152.9
[M+Na-2H]- 243.08635 154.7
[M]+ 222.11113 151.6
[M]- 222.11223 151.6
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

patents stripe