CID 121865

Dnaamp

Structural Information

Molecular Formula
C13H21N5O4
SMILES
CN(CCCN)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H21N5O4/c1-16(8-2-6-14)9-3-7-15-12-5-4-11(17(19)20)10-13(12)18(21)22/h4-5,10,15H,2-3,6-9,14H2,1H3
InChIKey
VVEKAPJMXBKPAP-UHFFFAOYSA-N
Compound name
N'-[3-(2,4-dinitroanilino)propyl]-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

271
Patents

311.15936 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.16664 169.0
[M+Na]+ 334.14858 170.9
[M-H]- 310.15208 172.5
[M+NH4]+ 329.19318 220.2
[M+K]+ 350.12252 161.6
[M+H-H2O]+ 294.15662 169.3
[M+HCOO]- 356.15756 231.5
[M+CH3COO]- 370.17321 206.0
[M+Na-2H]- 332.13403 175.3
[M]+ 311.15881 166.0
[M]- 311.15991 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe