CID 29707

19623-21-3

Structural Information

Molecular Formula
C11H16N4O2
SMILES
C1=CC(=CC=C1C(=O)OCCCN=C(N)N)N
InChI
InChI=1S/C11H16N4O2/c12-9-4-2-8(3-5-9)10(16)17-7-1-6-15-11(13)14/h2-5H,1,6-7,12H2,(H4,13,14,15)
InChIKey
ZQWRAKPELNSTNT-UHFFFAOYSA-N
Compound name
3-(diaminomethylideneamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.134596 153.3
[M+Na]+ 259.116538 157.8
[M-H]- 235.120044 156.6
[M+NH4]+ 254.161143 169.4
[M+K]+ 275.090478 156.2
[M+H-H2O]+ 219.124580 145.2
[M+HCOO]- 281.125521 179.6
[M+CH3COO]- 295.141171 202.5
[M+Na-2H]- 257.101986 155.7
[M]+ 236.12677142 150.0
[M]- 236.12786858 150.0
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

No patent data available for this compound.