CID 3051352

67427-87-6

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC1=CC(=C(C=C1)N(CC(CN=C(N)N)O)C(=O)C)C
InChI
InChI=1S/C14H22N4O2/c1-9-4-5-13(10(2)6-9)18(11(3)19)8-12(20)7-17-14(15)16/h4-6,12,20H,7-8H2,1-3H3,(H4,15,16,17)
InChIKey
WHRPNMDNHCDPRH-UHFFFAOYSA-N
Compound name
N-[3-(diaminomethylideneamino)-2-hydroxypropyl]-N-(2,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1743 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 169.0
[M+Na]+ 301.16352 172.6
[M-H]- 277.16702 172.9
[M+NH4]+ 296.20812 183.9
[M+K]+ 317.13746 172.1
[M+H-H2O]+ 261.17156 161.0
[M+HCOO]- 323.17250 192.9
[M+CH3COO]- 337.18815 215.2
[M+Na-2H]- 299.14897 167.6
[M]+ 278.17375 167.0
[M]- 278.17485 167.0
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.